 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer03_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer03_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-23341.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23343.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=31_naproxen_conformer03_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:35 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer03_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.534503000000     -0.540241000000      0.250726000000
  C                                                 1.208047000000      0.686254000000     -0.018994000000
  C                                                -0.871111000000     -0.548582000000      0.352837000000
  C                                                -1.615360000000      0.600511000000      0.194237000000
  C                                                -0.937903000000      1.810722000000     -0.077253000000
  C                                                 0.429321000000      1.854269000000     -0.179299000000
  C                                                 1.312272000000     -1.716102000000      0.408925000000
  H                                                -1.366601000000     -1.491361000000      0.557454000000
  H                                                -1.515348000000      2.718805000000     -0.203162000000
  H                                                 0.928391000000      2.793066000000     -0.386339000000
  C                                                -3.123514000000      0.580399000000      0.330991000000
  C                                                -3.582702000000      0.341624000000      1.771049000000
  C                                                -3.808238000000     -0.400692000000     -0.629910000000
  H                                                -3.495206000000      1.561723000000      0.013814000000
  H                                                -3.241865000000     -0.630545000000      2.127829000000
  H                                                -4.668885000000      0.361293000000      1.833837000000
  H                                                -3.169487000000      1.109726000000      2.424876000000
  O                                                -4.830838000000     -0.974186000000     -0.383978000000
  O                                                -3.217917000000     -0.549143000000     -1.838643000000
  H                                                -2.355614000000     -0.107100000000     -1.835698000000
  C                                                 2.671053000000     -1.679537000000      0.307450000000
  C                                                 3.338655000000     -0.457152000000      0.039453000000
  C                                                 2.621063000000      0.703564000000     -0.121448000000
  O                                                 4.689861000000     -0.555418000000     -0.036901000000
  C                                                 5.432086000000      0.622962000000     -0.304199000000
  H                                                 0.808612000000     -2.652916000000      0.612592000000
  H                                                 3.271812000000     -2.571003000000      0.426688000000
  H                                                 3.110374000000      1.644342000000     -0.326736000000
  H                                                 5.158044000000      1.051824000000     -1.272282000000
  H                                                 6.476520000000      0.322638000000     -0.322951000000
  H                                                 5.281369000000      1.371486000000      0.478872000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.425026   0.000000
     3  C    1.409343   2.446625   0.000000
     4  C    2.434423   2.832745   1.378215   0.000000
     5  C    2.793309   2.423412   2.399115   1.413246   0.000000
     6  C    2.435090   1.412930   2.783520   2.427377   1.371718
     7  C    1.418662   2.442395   2.476572   3.739494   4.211668
     8  H    2.147768   3.420981   1.084532   2.137694   3.389747
     9  H    3.876762   3.403243   3.376388   2.157568   1.083472
    10  H    3.416421   2.156805   3.866678   3.408084   2.131569
    11  C    3.826665   4.346966   2.519602   1.514475   2.541113
    12  C    4.476656   5.125846   3.186929   2.534520   3.545339
    13  C    4.433328   5.168925   3.100706   2.547615   3.665325
    14  H    4.551147   4.784152   3.384405   2.119033   2.571010
    15  H    4.218131   5.113172   2.962733   2.810657   4.016268
    16  H    5.513098   6.170649   4.176640   3.474123   4.435463
    17  H    4.600963   5.031365   3.510821   2.765929   3.425202
    18  O    5.420151   6.273628   4.050120   3.626748   4.796325
    19  O    4.294904   4.942316   3.210932   2.832401   3.724234
    20  H    3.590759   4.077929   2.681108   2.273615   2.963119
    21  C    2.421995   2.800700   3.718608   4.856416   5.035322
    22  C    2.813327   2.418736   4.222404   5.068025   4.842089
    23  C    2.457498   1.416831   3.740066   4.249418   3.727464
    24  O    4.165328   3.696633   5.574617   6.414469   6.105078
    25  C    5.064317   4.234130   6.444727   7.065086   6.483752
    26  H    2.160898   3.421769   2.705026   4.078658   4.842547
    27  H    3.412890   3.881685   4.610797   5.830693   6.097144
    28  H    3.426511   2.152089   4.595972   4.867603   4.059368
    29  H    5.121656   4.160150   6.446163   6.945024   6.258162
    30  H    6.031686   5.289746   7.429899   8.113151   7.566269
    31  H    5.122449   4.160453   6.446360   6.945523   6.259517
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724669   0.000000
     8  H    3.867994   2.692384   0.000000
     9  H    2.128316   5.295138   4.280906   0.000000
    10  H    1.083179   4.594824   4.951166   2.451720   0.000000
    11  C    3.808645   4.995617   2.725843   2.728424   4.672086
    12  C    4.710444   5.481823   3.121498   3.717856   5.569008
    13  C    4.821287   5.387866   2.925916   3.894961   5.717960
    14  H    3.940151   5.831989   3.761360   2.303422   4.609180
    15  H    4.997474   4.987307   2.593009   4.430861   5.952578
    16  H    5.680968   6.490006   3.995818   4.433060   6.494013
    17  H    4.504164   5.668821   3.674686   3.497413   5.246825
    18  O    5.975895   6.238344   3.626941   4.966221   6.881926
    19  O    4.672489   5.189987   3.171187   4.031504   5.520092
    20  H    3.787676   4.591362   2.936239   3.370009   4.614791
    21  C    4.213083   1.363055   4.049761   6.093611   4.849989
    22  C    3.722196   2.414061   4.845343   5.805765   4.068733
    23  C    2.476126   2.801609   4.602181   4.601931   2.702096
    24  O    4.896843   3.599174   6.157108   7.018034   5.048080
    25  C    5.153579   4.790891   7.171817   7.257383   4.999937
    26  H    4.591914   1.082947   2.466536   5.909453   5.538134
    27  H    5.294337   2.137982   4.764200   7.162100   5.909811
    28  H    2.693298   3.881617   5.536942   4.750478   2.466611
    29  H    4.919284   5.027707   7.237867   6.961035   4.659054
    30  H    6.239803   5.600139   8.098164   8.344215   6.073612
    31  H    4.920227   5.029098   7.238617   6.962457   4.660246
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530240   0.000000
    13  C    1.534509   2.523193   0.000000
    14  H    1.096245   2.141068   2.088885   0.000000
    15  H    2.170027   1.090218   2.824665   3.056024   0.000000
    16  H    2.166731   1.088174   2.718710   2.476093   1.762544
    17  H    2.160244   1.090054   3.467143   2.474594   1.766923
    18  O    2.417203   2.816619   1.197952   2.893611   2.992006
    19  O    2.447874   3.735828   1.353348   2.822099   3.967379
    20  H    2.399347   3.836108   1.910559   2.739404   4.094995
    21  C    6.219716   6.733251   6.670480   6.972427   6.275091
    22  C    6.551422   7.179251   7.178392   7.125880   6.906129
    23  C    5.763682   6.496095   6.543228   6.177660   6.419737
    24  O    7.904066   8.515202   8.520169   8.454595   8.222164
    25  C    8.579252   9.254848   9.302556   8.982146   9.095244
    26  H    5.098553   5.439939   5.285038   6.053476   4.774127
    27  H    7.130266   7.568029   7.480224   7.939926   7.006229
    28  H    6.358140   7.134076   7.220891   6.614869   7.179898
    29  H    8.448487   9.282612   9.105858   8.763149   9.216810
    30  H    9.625733  10.274879  10.314731  10.054057  10.067864
    31  H    8.443326   9.016767   9.326895   8.790946   8.909136
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776984   0.000000
    18  O    2.593923   3.872007   0.000000
    19  O    4.052322   4.575127   2.213194   0.000000
    20  H    4.363038   4.505058   2.997676   0.969008   0.000000
    21  C    7.769783   6.809948   7.566635   6.368946   5.686213
    22  C    8.246840   7.106424   8.196782   6.820876   6.005283
    23  C    7.555371   6.338707   7.642944   6.213833   5.325706
    24  O    9.587812   8.402524   9.536222   8.110442   7.285285
    25  C   10.328082   9.037248  10.386763   8.862895   7.970367
    26  H    6.370233   5.767766   5.967804   5.162107   4.742112
    27  H    8.580973   7.683154   8.298189   7.164930   6.546536
    28  H    8.175033   6.877051   8.361986   6.866186   5.934774
    29  H   10.329247   9.111537  10.230912   8.546378   7.623359
    30  H   11.352237  10.060592  11.381644   9.850860   8.971046
    31  H   10.092768   8.675968  10.416497   9.016516   8.115846
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.418358   0.000000
    23  C    2.421905   1.374078   0.000000
    24  O    2.336195   1.356924   2.423243   0.000000
    25  C    3.646768   2.380587   2.818110   1.418071   0.000000
    26  H    2.123503   3.398674   3.884553   4.459309   5.740069
    27  H    1.081592   2.150066   3.383300   2.507660   3.924588
    28  H    3.412238   2.145340   1.080107   2.723551   2.536547
    29  H    4.017588   2.703301   2.807486   2.080526   1.093712
    30  H    4.345997   3.253553   3.879466   2.011208   1.086917
    31  H    4.018940   2.703913   2.807798   2.080592   1.093711
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471563   0.000000
    28  H    4.964562   4.285189   0.000000
    29  H    6.016262   4.423714   2.331971   0.000000
    30  H    6.469493   4.382382   3.616332   1.780820   0.000000
    31  H    6.018243   4.425411   2.331668   1.784358   1.780839
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3250595           0.2107099           0.2001932
 Leave Link  202 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4794098437 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 11:07:38 2021, MaxMem=  5637144576 cpu:               9.5 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.34D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:               7.8 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer03_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:43 2021, MaxMem=  5637144576 cpu:              16.9 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636645807 LenY=  5636400287
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.607484740403    
 DIIS: error= 4.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.607484740403     IErMin= 1 ErrMin= 4.21D-03
 ErrMax= 4.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-02 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.321 Goal=   None    Shift=    0.000
 GapD=    0.321 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.43D-02 MaxDP=6.87D-01              OVMax= 2.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-02    CP:  1.14D+00
 E= -766.638483901470     Delta-E=       -0.030999161068 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.638483901470     IErMin= 2 ErrMin= 1.11D-03
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-03 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.11D-02
 Coeff-Com: -0.491D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.486D-02 0.100D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=3.09D-03 MaxDP=1.58D-01 DE=-3.10D-02 OVMax= 1.09D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.45D-03    CP:  1.20D+00  1.13D+00
 E= -766.639602217646     Delta-E=       -0.001118316176 Rises=F Damp=F
 DIIS: error= 9.23D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.639602217646     IErMin= 3 ErrMin= 9.23D-04
 ErrMax= 9.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 1.52D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.23D-03
 Coeff-Com: -0.620D-01 0.492D+00 0.570D+00
 Coeff-En:   0.000D+00 0.441D-01 0.956D+00
 Coeff:     -0.615D-01 0.488D+00 0.573D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=3.46D-04 MaxDP=1.92D-02 DE=-1.12D-03 OVMax= 4.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.84D-04    CP:  1.21D+00  1.15D+00  1.06D+00
 E= -766.640427423938     Delta-E=       -0.000825206292 Rises=F Damp=F
 DIIS: error= 1.49D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.640427423938     IErMin= 4 ErrMin= 1.49D-04
 ErrMax= 1.49D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-05 BMatP= 1.24D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.49D-03
 Coeff-Com: -0.149D-01 0.378D-01 0.148D+00 0.830D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.149D-01 0.377D-01 0.147D+00 0.830D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.25D-04 MaxDP=6.74D-03 DE=-8.25D-04 OVMax= 1.45D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.17D-04    CP:  1.21D+00  1.15D+00  1.08D+00  1.02D+00
 E= -766.640467846491     Delta-E=       -0.000040422553 Rises=F Damp=F
 DIIS: error= 6.90D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.640467846491     IErMin= 5 ErrMin= 6.90D-05
 ErrMax= 6.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-06 BMatP= 3.72D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-02-0.379D-01-0.161D-01 0.295D+00 0.757D+00
 Coeff:      0.146D-02-0.379D-01-0.161D-01 0.295D+00 0.757D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=4.81D-05 MaxDP=2.39D-03 DE=-4.04D-05 OVMax= 7.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.27D-05    CP:  1.21D+00  1.15D+00  1.09D+00  1.09D+00  1.10D+00
 E= -766.640475073574     Delta-E=       -0.000007227083 Rises=F Damp=F
 DIIS: error= 3.68D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.640475073574     IErMin= 6 ErrMin= 3.68D-05
 ErrMax= 3.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 6.21D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-02-0.216D-01-0.246D-01 0.473D-01 0.345D+00 0.652D+00
 Coeff:      0.231D-02-0.216D-01-0.246D-01 0.473D-01 0.345D+00 0.652D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.43D-05 MaxDP=6.64D-04 DE=-7.23D-06 OVMax= 2.91D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.21D+00  1.15D+00  1.09D+00  1.09D+00  1.16D+00
                    CP:  1.17D+00
 E= -766.640476355441     Delta-E=       -0.000001281867 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.640476355441     IErMin= 7 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-07 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.467D-03-0.345D-03-0.514D-02-0.365D-01-0.225D-01 0.189D+00
 Coeff-Com:  0.875D+00
 Coeff:      0.467D-03-0.345D-03-0.514D-02-0.365D-01-0.225D-01 0.189D+00
 Coeff:      0.875D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=9.46D-06 MaxDP=3.06D-04 DE=-1.28D-06 OVMax= 2.20D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.56D-06    CP:  1.21D+00  1.15D+00  1.09D+00  1.09D+00  1.20D+00
                    CP:  1.26D+00  1.51D+00
 E= -766.640476624624     Delta-E=       -0.000000269183 Rises=F Damp=F
 DIIS: error= 4.32D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.640476624624     IErMin= 8 ErrMin= 4.32D-06
 ErrMax= 4.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-08 BMatP= 1.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-03 0.301D-02 0.235D-02-0.167D-01-0.545D-01-0.539D-01
 Coeff-Com:  0.234D+00 0.886D+00
 Coeff:     -0.200D-03 0.301D-02 0.235D-02-0.167D-01-0.545D-01-0.539D-01
 Coeff:      0.234D+00 0.886D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=3.37D-06 MaxDP=1.00D-04 DE=-2.69D-07 OVMax= 1.23D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.68D-06    CP:  1.21D+00  1.15D+00  1.09D+00  1.09D+00  1.21D+00
                    CP:  1.32D+00  1.64D+00  1.26D+00
 E= -766.640476673806     Delta-E=       -0.000000049182 Rises=F Damp=F
 DIIS: error= 2.35D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.640476673806     IErMin= 9 ErrMin= 2.35D-06
 ErrMax= 2.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-09 BMatP= 1.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-03 0.126D-02 0.184D-02-0.125D-02-0.179D-01-0.550D-01
 Coeff-Com: -0.486D-01 0.385D+00 0.735D+00
 Coeff:     -0.147D-03 0.126D-02 0.184D-02-0.125D-02-0.179D-01-0.550D-01
 Coeff:     -0.486D-01 0.385D+00 0.735D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.51D-06 MaxDP=5.37D-05 DE=-4.92D-08 OVMax= 4.30D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.60D-07    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.33D+00  1.72D+00  1.32D+00  1.17D+00
 E= -766.640476682977     Delta-E=       -0.000000009171 Rises=F Damp=F
 DIIS: error= 6.16D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.640476682977     IErMin=10 ErrMin= 6.16D-07
 ErrMax= 6.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-10 BMatP= 4.49D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.830D-05-0.144D-03 0.116D-03 0.216D-02 0.437D-02-0.391D-02
 Coeff-Com: -0.464D-01-0.528D-01 0.127D+00 0.969D+00
 Coeff:     -0.830D-05-0.144D-03 0.116D-03 0.216D-02 0.437D-02-0.391D-02
 Coeff:     -0.464D-01-0.528D-01 0.127D+00 0.969D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=6.58D-07 MaxDP=2.19D-05 DE=-9.17D-09 OVMax= 2.43D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.87D-07    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.34D+00  1.75D+00  1.36D+00  1.27D+00  1.26D+00
 E= -766.640476684259     Delta-E=       -0.000000001282 Rises=F Damp=F
 DIIS: error= 2.47D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.640476684259     IErMin=11 ErrMin= 2.47D-07
 ErrMax= 2.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.50D-11 BMatP= 3.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-04-0.264D-03-0.252D-03 0.106D-02 0.460D-02 0.719D-02
 Coeff-Com: -0.106D-01-0.774D-01-0.723D-01 0.380D+00 0.768D+00
 Coeff:      0.208D-04-0.264D-03-0.252D-03 0.106D-02 0.460D-02 0.719D-02
 Coeff:     -0.106D-01-0.774D-01-0.723D-01 0.380D+00 0.768D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=2.42D-07 MaxDP=1.18D-05 DE=-1.28D-09 OVMax= 8.58D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.69D-07    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.34D+00  1.75D+00  1.38D+00  1.31D+00  1.37D+00
                    CP:  1.11D+00
 E= -766.640476684512     Delta-E=       -0.000000000253 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.640476684512     IErMin=12 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-11 BMatP= 9.50D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.619D-05-0.418D-04-0.779D-04-0.755D-04 0.402D-03 0.242D-02
 Coeff-Com:  0.467D-02-0.951D-02-0.421D-01-0.533D-01 0.187D+00 0.910D+00
 Coeff:      0.619D-05-0.418D-04-0.779D-04-0.755D-04 0.402D-03 0.242D-02
 Coeff:      0.467D-02-0.951D-02-0.421D-01-0.533D-01 0.187D+00 0.910D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.33D-07 MaxDP=6.29D-06 DE=-2.53D-10 OVMax= 4.67D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.84D-08    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.34D+00  1.76D+00  1.37D+00  1.32D+00  1.43D+00
                    CP:  1.21D+00  1.17D+00
 E= -766.640476684519     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 6.68D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.640476684519     IErMin=13 ErrMin= 6.68D-08
 ErrMax= 6.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-12 BMatP= 1.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-05 0.285D-04 0.191D-04-0.164D-03-0.566D-03-0.450D-03
 Coeff-Com:  0.238D-02 0.930D-02-0.236D-03-0.626D-01-0.764D-01 0.182D+00
 Coeff-Com:  0.946D+00
 Coeff:     -0.155D-05 0.285D-04 0.191D-04-0.164D-03-0.566D-03-0.450D-03
 Coeff:      0.238D-02 0.930D-02-0.236D-03-0.626D-01-0.764D-01 0.182D+00
 Coeff:      0.946D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=4.84D-08 MaxDP=2.48D-06 DE=-6.59D-12 OVMax= 2.44D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.76D-08    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.34D+00  1.76D+00  1.37D+00  1.32D+00  1.45D+00
                    CP:  1.25D+00  1.26D+00  1.22D+00
 E= -766.640476684599     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 3.31D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -766.640476684599     IErMin=14 ErrMin= 3.31D-08
 ErrMax= 3.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.34D-13 BMatP= 1.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-05 0.158D-04 0.220D-04-0.250D-04-0.229D-03-0.657D-03
 Coeff-Com: -0.536D-03 0.444D-02 0.913D-02-0.113D-02-0.627D-01-0.179D+00
 Coeff-Com:  0.253D+00 0.978D+00
 Coeff:     -0.171D-05 0.158D-04 0.220D-04-0.250D-04-0.229D-03-0.657D-03
 Coeff:     -0.536D-03 0.444D-02 0.913D-02-0.113D-02-0.627D-01-0.179D+00
 Coeff:      0.253D+00 0.978D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=2.97D-08 MaxDP=1.05D-06 DE=-8.00D-11 OVMax= 1.49D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.38D-08    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.34D+00  1.76D+00  1.37D+00  1.32D+00  1.45D+00
                    CP:  1.26D+00  1.31D+00  1.50D+00  1.24D+00
 E= -766.640476684606     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.24D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -766.640476684606     IErMin=15 ErrMin= 1.24D-08
 ErrMax= 1.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.84D-14 BMatP= 5.34D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.226D-07-0.304D-05 0.154D-06 0.309D-04 0.867D-04-0.365D-04
 Coeff-Com: -0.664D-03-0.133D-02 0.205D-02 0.156D-01 0.469D-02-0.912D-01
 Coeff-Com: -0.156D+00 0.221D+00 0.101D+01
 Coeff:     -0.226D-07-0.304D-05 0.154D-06 0.309D-04 0.867D-04-0.365D-04
 Coeff:     -0.664D-03-0.133D-02 0.205D-02 0.156D-01 0.469D-02-0.912D-01
 Coeff:     -0.156D+00 0.221D+00 0.101D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.25D-08 MaxDP=3.67D-07 DE=-6.82D-12 OVMax= 6.74D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  5.69D-09    CP:  1.21D+00  1.15D+00  1.09D+00  1.08D+00  1.22D+00
                    CP:  1.34D+00  1.76D+00  1.37D+00  1.32D+00  1.46D+00
                    CP:  1.26D+00  1.32D+00  1.60D+00  1.48D+00  1.24D+00
 E= -766.640476684628     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.19D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -766.640476684628     IErMin=16 ErrMin= 3.19D-09
 ErrMax= 3.19D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-14 BMatP= 8.84D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-06-0.326D-05-0.342D-05 0.131D-04 0.638D-04 0.901D-04
 Coeff-Com: -0.983D-04-0.109D-02-0.720D-03 0.474D-02 0.110D-01-0.767D-03
 Coeff-Com: -0.765D-01-0.809D-01 0.267D+00 0.877D+00
 Coeff:      0.254D-06-0.326D-05-0.342D-05 0.131D-04 0.638D-04 0.901D-04
 Coeff:     -0.983D-04-0.109D-02-0.720D-03 0.474D-02 0.110D-01-0.767D-03
 Coeff:     -0.765D-01-0.809D-01 0.267D+00 0.877D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=4.33D-09 MaxDP=1.59D-07 DE=-2.23D-11 OVMax= 1.70D-07

 SCF Done:  E(RM11) =  -766.640476685     A.U. after   16 cycles
            NFock= 16  Conv=0.43D-08     -V/T= 2.0115
 KE= 7.579145369372D+02 PE=-4.054146287277D+03 EE= 1.393111863811D+03
 Leave Link  502 at Fri Aug 13 11:22:36 2021, MaxMem=  5637144576 cpu:            7119.3 elap:             892.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.55068799D+02

 Leave Link  801 at Fri Aug 13 11:22:36 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9463 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.85D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 1.91D-01 9.86D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.29D-02 9.52D-02.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 6.04D-03 3.06D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.13D-03 1.11D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.78D-04 3.77D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.39D-05 9.56D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 7.72D-07 1.34D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 4.90D-08 3.13D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.95D-09 5.56D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 5.88D-11 7.16D-07.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 2.19D-12 1.98D-07.
      5 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.45D-13 2.77D-08.
      1 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 5.46D-14 9.87D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.286417D+03
      2 -0.110920D+02  0.173651D+03
      3 -0.983504D+01 -0.813452D+01  0.119661D+03
 Isotropic polarizability for W=    0.088559      193.24 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.303145D+03 -0.928508D+02 -0.135803D+02
      2  -0.134319D+03  0.750303D+02 -0.129829D+02
      3  -0.168826D+03  0.178205D+02  0.265633D+02
      4  -0.187275D+02  0.115282D+03 -0.404092D+02
      5   0.480126D+02 -0.485892D+02 -0.581093D+02
      6  -0.227766D+02  0.403364D+02  0.246551D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.957958D+01  0.196710D+02 -0.145160D+02
      2  -0.237228D+02 -0.123644D+02 -0.271736D+02
      3   0.488962D+02 -0.570189D+02  0.194452D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.818001D+01  0.533194D+02 -0.683466D+01
      2  -0.615929D+02 -0.176326D+02  0.110717D+03
      3   0.741233D+02 -0.249600D+03  0.258126D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.149538D+01 -0.212602D-01 -0.183948D+00
      2  -0.212602D-01  0.524646D+00  0.368766D+01
      3  -0.183948D+00  0.368766D+01 -0.451884D+01
 OR G Eigenvalues:    -6.4675     1.4872     2.4815  Iso=     0.8329
 Eigenvectors:
   (1)   0.019185  -0.466368   0.884383
   (2)   0.994202   0.102503   0.032487
   (3)  -0.105803   0.878632   0.465630
 w=    0.088559 a.u., Optical Rotation Beta=      0.8329 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      183.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 9.20D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.98D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.02D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 6.98D-02 4.08D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 6.61D-03 1.58D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.87D-04 2.94D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 9.58D-06 3.40D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 2.94D-07 5.57D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 4.95D-09 5.68D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 8.33D-11 8.06D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 1.18D-12 8.14D-08.
      8 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 6.75D-14 1.84D-08.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 2.55D-13 4.04D-08.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 5.44D-15 4.64D-09.
      1 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.58D-15 3.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   283 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.34D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.286417D+03 -0.110920D+02 -0.983504D+01
      2  -0.110920D+02  0.173651D+03 -0.813452D+01
      3  -0.983504D+01 -0.813452D+01  0.119661D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.957958D+01  0.196710D+02 -0.145160D+02
      2  -0.237228D+02 -0.123644D+02 -0.271736D+02
      3   0.488962D+02 -0.570189D+02  0.194452D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.303145D+03 -0.928508D+02 -0.135803D+02
      2  -0.134319D+03  0.750303D+02 -0.129829D+02
      3  -0.168826D+03  0.178205D+02  0.265633D+02
      4  -0.187275D+02  0.115282D+03 -0.404092D+02
      5   0.480126D+02 -0.485892D+02 -0.581093D+02
      6  -0.227766D+02  0.403364D+02  0.246551D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.354473D+02  0.718343D+01  0.703434D+00 -0.367313D+02  0.113915D+02
      2   0.718343D+01 -0.333715D+01  0.876258D-01  0.113915D+02 -0.112245D+02
      3   0.703434D+00  0.876258D-01  0.430144D-01  0.917867D-01  0.122625D+01
                 6             7             8             9            10 
      1   0.917867D-01  0.922827D+01 -0.284223D+01 -0.821761D+00  0.436493D+02
      2   0.122625D+01 -0.284223D+01  0.187355D+01 -0.120972D+01 -0.941581D+01
      3   0.148226D+00 -0.821761D+00 -0.120972D+01  0.591238D+00 -0.971716D+00
                11            12            13            14            15 
      1  -0.941581D+01 -0.971716D+00  0.344569D+02 -0.101958D+02  0.118808D+00
      2   0.688730D+01 -0.724927D+00 -0.101958D+02  0.917610D+01 -0.919825D+00
      3  -0.724927D+00 -0.261567D+00  0.118808D+00 -0.919825D+00 -0.557892D-01
                16            17            18            19            20 
      1  -0.908155D+01  0.286570D+01  0.154447D+01  0.315209D+02 -0.715281D+01
      2   0.286570D+01 -0.188459D+01  0.922934D+00 -0.715281D+01  0.512712D+01
      3   0.154447D+01  0.922934D+00 -0.363478D+00 -0.415940D+00 -0.630814D+00
                21            22            23            24            25 
      1  -0.415940D+00 -0.218685D+02  0.383465D+01 -0.606455D-01  0.261476D+01
      2  -0.630814D+00  0.383465D+01 -0.546304D+01 -0.109345D+00 -0.717247D+00
      3   0.189117D+00 -0.606455D-01 -0.109345D+00 -0.175797D+01 -0.988484D+00
                26            27            28            29            30 
      1  -0.717247D+00 -0.988484D+00 -0.397296D+02  0.581676D+01  0.720672D+00
      2  -0.385060D+00 -0.271908D+01  0.581676D+01 -0.289480D+01 -0.259963D+00
      3  -0.271908D+01  0.164567D+01  0.720672D+00 -0.259963D+00 -0.206995D+01
                31            32            33            34            35 
      1   0.133021D+02 -0.158990D+01 -0.129617D+01 -0.346941D+01 -0.763059D+00
      2  -0.158990D+01  0.983929D+01 -0.145460D+01 -0.763059D+00 -0.101495D+01
      3  -0.129617D+01 -0.145460D+01  0.513500D+00 -0.567840D+01  0.117567D+01
                36            37            38            39            40 
      1  -0.567840D+01 -0.364566D+01 -0.713812D+00  0.812266D-01  0.788394D+01
      2   0.117567D+01 -0.713812D+00 -0.896222D+01  0.147120D+01 -0.207318D+01
      3   0.422749D+00  0.812266D-01  0.147120D+01 -0.210425D+01 -0.551287D+00
                41            42            43            44            45 
      1  -0.207318D+01 -0.551287D+00 -0.152933D+01 -0.398323D+00 -0.456632D+01
      2  -0.209983D+01  0.137833D+01 -0.398323D+00  0.232876D+01  0.296497D+01
      3   0.137833D+01  0.127335D+01 -0.456632D+01  0.296497D+01 -0.783001D+00
                46            47            48            49            50 
      1   0.877927D+01 -0.191777D+01  0.176236D+00  0.944789D-01 -0.111047D+01
      2  -0.191777D+01  0.701450D+01 -0.485179D+00 -0.111047D+01 -0.281393D+00
      3   0.176236D+00 -0.485179D+00  0.197739D+01  0.498359D+00  0.104645D+01
                51            52            53            54            55 
      1   0.498359D+00 -0.338537D+00  0.786311D+00  0.122240D+01 -0.130909D+02
      2   0.104645D+01  0.786311D+00  0.106887D+01  0.345325D+01  0.349366D+01
      3   0.884007D+00  0.122240D+01  0.345325D+01 -0.176995D+01  0.207831D-01
                56            57            58            59            60 
      1   0.349366D+01  0.207831D-01  0.407128D+01 -0.409229D+00 -0.665051D+00
      2  -0.959081D+01  0.102468D+01 -0.409229D+00  0.195612D+01 -0.120449D+01
      3   0.102468D+01 -0.186227D+01 -0.665051D+00 -0.120449D+01 -0.966980D+00
                61            62            63            64            65 
      1  -0.215928D+00 -0.799659D+00 -0.153374D+01 -0.257560D+01 -0.249823D+01
      2  -0.799659D+00 -0.933967D+00 -0.305633D+01 -0.249823D+01 -0.141531D+01
      3  -0.153374D+01 -0.305633D+01  0.180827D+01  0.475269D+00  0.298446D+00
                66            67            68            69            70 
      1   0.475269D+00 -0.338736D+01 -0.285051D+01  0.737150D+00  0.627136D+00
      2   0.298446D+00 -0.285051D+01 -0.504989D+01  0.967626D+00  0.656904D+00
      3  -0.489981D+00  0.737150D+00  0.967626D+00 -0.103251D+01 -0.301776D+00
                71            72            73            74            75 
      1   0.656904D+00 -0.301776D+00 -0.466323D+01  0.321590D+01 -0.254275D+00
      2   0.957820D+00 -0.412016D+00  0.321590D+01 -0.340178D+01  0.340982D+00
      3  -0.412016D+00  0.253614D+00 -0.254275D+00  0.340982D+00 -0.416920D+00
                76            77            78            79            80 
      1   0.343905D+01 -0.454923D+01  0.699814D+00 -0.342908D+00  0.789009D+00
      2  -0.454923D+01  0.789723D+01 -0.923079D+00  0.789009D+00 -0.123562D+01
      3   0.699814D+00 -0.923079D+00  0.907891D+00  0.306725D+00  0.394912D+00
                81            82            83            84            85 
      1   0.306725D+00  0.186912D+01  0.221708D+01 -0.487784D+00  0.109954D+01
      2   0.394912D+00  0.221708D+01  0.316080D+01 -0.618340D+00  0.250143D+01
      3  -0.257291D+00 -0.487784D+00 -0.618340D+00  0.512372D+00 -0.458205D+00
                86            87            88            89            90 
      1   0.250143D+01 -0.458205D+00 -0.330112D+00 -0.579272D+00  0.206163D+00
      2   0.891498D+01 -0.155990D+01 -0.579272D+00 -0.185192D+01  0.543466D+00
      3  -0.155990D+01  0.115730D+01  0.206163D+00  0.543466D+00 -0.327297D+00
                91            92            93            94            95 
      1   0.126774D+02 -0.158063D+01  0.341835D+00  0.369146D+01  0.125018D+01
      2  -0.158063D+01  0.157100D+01  0.749949D+00  0.125018D+01 -0.355174D+01
      3   0.341835D+00  0.749949D+00  0.302624D+01  0.408692D+00  0.190694D+01
                96            97            98            99           100 
      1   0.408692D+00 -0.255849D+01  0.112987D+01  0.745287D+01  0.836311D+01
      2   0.190694D+01  0.112987D+01  0.184269D+01  0.102744D+00 -0.600709D+00
      3   0.129372D+01  0.745287D+01  0.102744D+00 -0.170379D+01 -0.160382D+01
               101           102           103           104           105 
      1  -0.600709D+00 -0.160382D+01 -0.198459D+01 -0.170434D+01 -0.404366D-01
      2  -0.169804D+01 -0.503209D+00 -0.170434D+01  0.143643D+01 -0.346370D+01
      3  -0.503209D+00 -0.244334D+01 -0.404366D-01 -0.346370D+01 -0.152840D+01
               106           107           108           109           110 
      1   0.509374D+01 -0.793148D+00 -0.507953D+01  0.552624D+01  0.301639D+01
      2  -0.793148D+00 -0.253202D+01 -0.790910D+00  0.301639D+01  0.102129D+01
      3  -0.507953D+01 -0.790910D+00  0.254750D+01 -0.153645D+01 -0.350256D+00
               111           112           113           114           115 
      1  -0.153645D+01  0.765663D+00  0.112158D+01 -0.933090D+00 -0.577213D+01
      2  -0.350256D+00  0.112158D+01  0.550466D+00 -0.947600D+00 -0.944163D+00
      3  -0.714895D+00 -0.933090D+00 -0.947600D+00 -0.408035D+00 -0.333215D+01
               116           117           118           119           120 
      1  -0.944163D+00 -0.333215D+01 -0.660255D+00  0.212384D+01 -0.743829D+00
      2  -0.144536D+01 -0.113544D+00  0.212384D+01 -0.184674D+01  0.534513D-01
      3  -0.113544D+00 -0.255646D+00 -0.743829D+00  0.534513D-01 -0.114287D+01
               121           122           123           124           125 
      1   0.397192D+01 -0.224798D+01  0.222408D+00 -0.127349D+01  0.163301D+00
      2  -0.224798D+01  0.596861D+01 -0.103337D+01  0.163301D+00 -0.132853D+01
      3   0.222408D+00 -0.103337D+01  0.135994D+01 -0.148821D+01  0.110081D+01
               126           127           128           129           130 
      1  -0.148821D+01 -0.170033D+00 -0.735401D+00  0.365881D+00 -0.189837D+01
      2   0.110081D+01 -0.735401D+00  0.748028D+00 -0.278753D+00  0.998715D-01
      3  -0.525707D+00  0.365881D+00 -0.278753D+00  0.110604D+01  0.514707D+00
               131           132           133           134           135 
      1   0.998715D-01  0.514707D+00  0.417509D+00  0.910955D-01  0.171130D+00
      2  -0.407318D+01  0.218976D+01  0.910955D-01  0.153806D+01 -0.130477D+01
      3   0.218976D+01 -0.256626D+01  0.171130D+00 -0.130477D+01  0.180437D+01
               136           137           138           139           140 
      1  -0.144952D+02  0.728140D+00  0.342787D+01  0.453106D+00 -0.125216D+01
      2   0.728140D+00 -0.851967D+00 -0.246177D+00 -0.125216D+01  0.631215D-01
      3   0.342787D+01 -0.246177D+00 -0.230408D+01 -0.231440D+00  0.718695D+00
               141           142           143           144           145 
      1  -0.231440D+00  0.143421D+01  0.447859D-01 -0.134375D+01 -0.136688D-01
      2   0.718695D+00  0.447859D-01  0.158679D+00  0.143574D+00  0.873882D+00
      3   0.218616D+00 -0.134375D+01  0.143574D+00  0.373791D+00  0.820572D+00
               146           147           148           149           150 
      1   0.873882D+00  0.820572D+00  0.146977D+01  0.231234D+00 -0.254067D+00
      2   0.100117D+01  0.754637D+00  0.231234D+00  0.314175D+01  0.282653D+01
      3   0.754637D+00  0.186810D+01 -0.254067D+00  0.282653D+01  0.347976D+01
               151           152           153           154           155 
      1   0.288907D+00  0.320237D-01  0.307748D+00 -0.165843D+02 -0.431715D+01
      2   0.320237D-01  0.209444D+01  0.243267D+01 -0.431715D+01 -0.254081D+01
      3   0.307748D+00  0.243267D+01  0.457083D+01  0.614642D+00 -0.216451D+00
               156           157           158           159           160 
      1   0.614642D+00 -0.693634D+01 -0.517422D+01  0.347220D+00  0.687402D+00
      2  -0.216451D+00 -0.517422D+01 -0.396165D+01  0.343795D+00  0.351720D+00
      3  -0.259074D+01  0.347220D+00  0.343795D+00 -0.128253D+01 -0.240121D+01
               161           162           163           164           165 
      1   0.351720D+00 -0.240121D+01 -0.909900D+01 -0.232730D+01 -0.273763D+01
      2   0.887309D+00 -0.109615D+01 -0.232730D+01 -0.266340D+00  0.171494D-01
      3  -0.109615D+01  0.135559D+01 -0.273763D+01  0.171494D-01 -0.998229D+00
               166           167           168           169           170 
      1  -0.503134D+01 -0.626285D+00 -0.762968D+00 -0.240284D+00  0.372971D-01
      2  -0.626285D+00 -0.718163D+00 -0.166225D+01  0.372971D-01 -0.445396D+00
      3  -0.762968D+00 -0.166225D+01 -0.175467D+01 -0.671468D+00 -0.105543D+01
               171           172           173           174           175 
      1  -0.671468D+00  0.867897D+01  0.195342D+01  0.100452D+01  0.568652D+01
      2  -0.105543D+01  0.195342D+01  0.641812D+00  0.276599D+00  0.769292D+00
      3  -0.670901D+01  0.100452D+01  0.276599D+00  0.229284D+01  0.931640D+00
               176           177           178           179           180 
      1   0.769292D+00  0.931640D+00  0.342565D+01  0.449309D+00  0.158003D+01
      2   0.328842D+00 -0.449345D+00  0.449309D+00 -0.815072D+00  0.475900D+00
      3  -0.449345D+00  0.124795D+01  0.158003D+01  0.475900D+00 -0.938103D+00
               181           182           183           184           185 
      1   0.109001D+02 -0.674731D-01 -0.327667D+00 -0.707393D+01  0.227500D+01
      2  -0.674731D-01  0.998548D+01 -0.180513D+01  0.227500D+01  0.386422D+01
      3  -0.327667D+00 -0.180513D+01  0.208748D+01  0.665223D+00 -0.175962D+01
               186           187           188           189           190 
      1   0.665223D+00  0.106658D+01  0.202357D+00  0.408479D+01  0.351572D+02
      2  -0.175962D+01  0.202357D+00 -0.273060D+01 -0.278567D+01 -0.612231D+01
      3  -0.118309D+01  0.408479D+01 -0.278567D+01  0.712636D+00 -0.408358D+00
               191           192           193           194           195 
      1  -0.612231D+01 -0.408358D+00 -0.206455D+02  0.218760D+01  0.202720D+01
      2   0.511485D+01 -0.697879D-01  0.218760D+01 -0.142714D+02  0.204759D+01
      3  -0.697879D-01  0.319250D+01  0.202720D+01  0.204759D+01 -0.135083D+01
               196           197           198           199           200 
      1   0.223836D+01  0.103090D+01  0.593669D+01 -0.362081D+02  0.850990D+01
      2   0.103090D+01  0.161833D+01 -0.211823D+01  0.850990D+01 -0.858243D+01
      3   0.593669D+01 -0.211823D+01 -0.140523D+00  0.766147D+00  0.135082D+01
               201           202           203           204           205 
      1   0.766147D+00  0.237448D+02 -0.354502D+01 -0.658210D+00 -0.181337D+01
      2   0.135082D+01 -0.354502D+01  0.705326D+01 -0.196415D-01  0.344490D+00
      3  -0.411604D-01 -0.658210D+00 -0.196415D-01  0.230141D+01  0.194795D+00
               206           207           208           209           210 
      1   0.344490D+00  0.194795D+00 -0.878192D+01  0.394912D+00  0.393622D+00
      2   0.662941D+00  0.325223D+01  0.394912D+00 -0.182873D+01  0.248081D+00
      3   0.325223D+01 -0.178396D+01  0.393622D+00  0.248081D+00 -0.201183D+00
               211           212           213           214           215 
      1  -0.601065D+00  0.143656D+01 -0.654964D-01  0.753806D+00 -0.216030D+00
      2   0.143656D+01 -0.213326D+01  0.368215D+00 -0.216030D+00  0.327214D+00
      3  -0.654964D-01  0.368215D+00  0.868019D+00  0.463137D+00 -0.593968D+00
               216           217           218           219           220 
      1   0.463137D+00 -0.263070D+01  0.203921D+01 -0.232632D+00  0.416114D+01
      2  -0.593968D+00  0.203921D+01  0.195465D+01 -0.579814D+00 -0.113719D+01
      3  -0.630520D-01 -0.232632D+00 -0.579814D+00  0.131071D+01 -0.669932D+00
               221           222           223           224           225 
      1  -0.113719D+01 -0.669932D+00 -0.752468D+00 -0.460797D+00 -0.993343D+00
      2   0.390998D-02 -0.166738D+01 -0.460797D+00 -0.154810D+01 -0.328542D+01
      3  -0.166738D+01 -0.511950D+01 -0.993343D+00 -0.328542D+01  0.238447D+01
               226           227           228           229           230 
      1  -0.155232D+01 -0.180738D+01  0.419149D+00 -0.679815D+00 -0.196102D+01
      2  -0.180738D+01 -0.320342D+01  0.618315D+00 -0.196102D+01 -0.862210D+01
      3   0.419149D+00  0.618315D+00 -0.487485D+00  0.391218D+00  0.150202D+01
               231           232           233           234           235 
      1   0.391218D+00  0.273860D+00  0.523033D+00  0.737933D-01  0.487362D+01
      2   0.150202D+01  0.523033D+00  0.170857D+01 -0.642894D+00 -0.378913D+01
      3  -0.115692D+01  0.737933D-01 -0.642894D+00  0.350497D+00  0.372539D+00
               236           237           238           239           240 
      1  -0.378913D+01  0.372539D+00 -0.426488D+01  0.525743D+01 -0.803801D+00
      2   0.397218D+01 -0.384508D+00  0.525743D+01 -0.808874D+01  0.938364D+00
      3  -0.384508D+00  0.584972D+00 -0.803801D+00  0.938364D+00 -0.100593D+01
               241           242           243           244           245 
      1   0.478917D+00 -0.835302D+00 -0.113321D+00  0.284988D+01  0.262184D+01
      2  -0.835302D+00  0.119320D+01 -0.475666D+00  0.262184D+01  0.140540D+01
      3  -0.113321D+00 -0.475666D+00  0.316801D+00 -0.638902D+00 -0.371429D+00
               246           247           248           249           250 
      1  -0.638902D+00  0.400676D+01  0.304097D+01 -0.747586D+00 -0.930533D+00
      2  -0.371429D+00  0.304097D+01  0.517587D+01 -0.102472D+01 -0.722812D+00
      3   0.371705D+00 -0.747586D+00 -0.102472D+01  0.868291D+00  0.303416D+00
               251           252           253           254           255 
      1  -0.722812D+00  0.303416D+00 -0.785951D+00 -0.320216D+00 -0.693751D+00
      2  -0.111251D+01  0.195809D+00 -0.320216D+00 -0.224479D+00  0.857301D-01
      3   0.195809D+00 -0.192154D+00 -0.693751D+00  0.857301D-01 -0.102241D+01
               256           257           258           259           260 
      1   0.408847D+00  0.118934D+01 -0.775589D+00 -0.322040D+01 -0.116756D+01
      2   0.118934D+01  0.148776D+01 -0.150300D+01 -0.116756D+01 -0.137515D+01
      3  -0.775589D+00 -0.150300D+01  0.231022D+01  0.229933D+01  0.207054D+01
               261           262           263           264           265 
      1   0.229933D+01  0.152507D+02 -0.107900D+01 -0.658392D+00 -0.352724D+01
      2   0.207054D+01 -0.107900D+01  0.100485D+01  0.107024D+00  0.149940D+01
      3  -0.634831D+01 -0.658392D+00  0.107024D+00  0.113608D+01  0.259400D+00
               266           267           268           269           270 
      1   0.149940D+01  0.259400D+00 -0.192778D+00  0.110364D+00  0.163709D+01
      2  -0.854448D+00  0.693964D-01  0.110364D+00  0.146467D+00  0.112552D+00
      3   0.693964D-01 -0.145557D+00  0.163709D+01  0.112552D+00 -0.337265D+00
               271           272           273           274           275 
      1   0.379707D-01  0.256775D+00  0.100676D+01  0.192285D+01  0.234054D+01
      2   0.256775D+00  0.346057D-01  0.400548D-01  0.234054D+01  0.353539D+01
      3   0.100676D+01  0.400548D-01 -0.547223D+00  0.106035D+01  0.217192D+01
               276           277           278           279 
      1   0.106035D+01  0.343263D+01  0.163114D+01  0.152891D+01
      2   0.217192D+01  0.163114D+01  0.223194D+01  0.231776D+01
      3   0.248276D+01  0.152891D+01  0.231776D+01  0.336050D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311543D+01  0.175160D+01 -0.687781D+00  0.349300D+01 -0.166398D+01
      2   0.683558D+01  0.281529D+01 -0.656408D+00  0.781328D+01 -0.456413D+01
      3   0.746495D+01  0.199843D+02 -0.424362D+01  0.249286D+02 -0.198282D+02
                 6             7             8             9            10 
      1   0.426476D+00 -0.486404D+01  0.851467D+01 -0.146517D+01 -0.489806D+00
      2   0.227752D+01 -0.193158D+02  0.283115D+01  0.330359D+00 -0.427151D+01
      3   0.196809D+01 -0.129365D+01  0.136991D+01  0.592373D+00  0.287477D+02
                11            12            13            14            15 
      1   0.285610D+01 -0.112775D+01 -0.102060D+01  0.969320D+00  0.810693D+00
      2   0.369193D+01 -0.544312D+01 -0.236447D+00 -0.362805D+01  0.744765D+00
      3   0.157305D+02 -0.372775D+01  0.471931D+02 -0.315667D+02  0.298960D+01
                16            17            18            19            20 
      1  -0.510473D+01  0.831519D+01 -0.142210D+01 -0.359603D+01 -0.368108D+00
      2  -0.169505D+02  0.283384D+01  0.118135D+01 -0.789830D+01 -0.253105D+01
      3  -0.684327D+01  0.383158D+01  0.539609D+00 -0.409125D+01 -0.219034D+02
                21            22            23            24            25 
      1   0.482520D+00 -0.627896D-01 -0.524164D-01 -0.134261D+01 -0.677690D+01
      2   0.658515D+00  0.776494D+00  0.176445D+01  0.682806D+00 -0.175905D+02
      3   0.434998D+01 -0.281792D+01  0.559483D+01 -0.162875D+01  0.524764D+01
                26            27            28            29            30 
      1   0.425252D+01 -0.972972D+00  0.430733D+00  0.127008D+01  0.319422D+00
      2   0.771994D+01 -0.829572D+00  0.387235D+01  0.128113D+01  0.924243D+00
      3  -0.198338D+01 -0.894934D+00 -0.190828D+02  0.939140D+01 -0.859214D+00
                31            32            33            34            35 
      1   0.432966D+01  0.345255D+01  0.107285D+01  0.293213D+01  0.114021D+02
      2   0.271859D+00  0.209845D+00  0.681936D+00 -0.109938D+02  0.103354D+01
      3   0.266401D+02 -0.281598D+01 -0.186627D+01 -0.194035D+01 -0.224241D+01
                36            37            38            39            40 
      1  -0.203912D+01  0.635550D+00 -0.216645D+00  0.517795D+01  0.161504D+01
      2   0.690919D+00 -0.204171D+01 -0.670771D+00  0.513007D+00 -0.217001D+01
      3  -0.227588D+01 -0.885578D+01 -0.149608D+01 -0.121894D+00  0.107461D+02
                41            42            43            44            45 
      1  -0.891217D+00 -0.248164D+01  0.154464D+02  0.160326D+01 -0.294761D+00
      2  -0.248725D+01 -0.157115D+01 -0.109840D+02 -0.597290D+01  0.241544D+01
      3  -0.491393D+01  0.167967D+00 -0.220646D+01  0.990513D+00 -0.492567D+01
                46            47            48            49            50 
      1  -0.992870D+00 -0.185037D+01 -0.486336D+01 -0.228577D+01  0.387776D+00
      2   0.191715D+01 -0.332663D+01  0.188390D+01 -0.404876D+01  0.447193D+01
      3   0.205044D+02 -0.233872D+02  0.356979D+01 -0.494777D+01  0.207167D+02
                51            52            53            54            55 
      1  -0.255164D+01 -0.108289D+02 -0.162188D+01  0.294872D+01  0.138029D+01
      2  -0.786770D+00 -0.148862D+02  0.213606D+01  0.827353D+00  0.590124D+01
      3  -0.257422D+01  0.319726D+01 -0.184057D+01  0.434626D+01  0.302461D+02
                56            57            58            59            60 
      1  -0.350961D+01 -0.488994D+01 -0.245909D+01  0.113071D+01 -0.198278D+01
      2  -0.340255D+01 -0.329123D+01 -0.542843D+01  0.292700D+01 -0.229569D+01
      3  -0.113353D+02  0.193538D+01 -0.550028D+01  0.197633D+02 -0.629037D+00
                61            62            63            64            65 
      1  -0.113795D+02 -0.141103D+01  0.199935D+01 -0.628865D+00 -0.491843D+00
      2  -0.187856D+02 -0.150869D+01  0.476280D+01  0.119195D+01  0.867628D+00
      3   0.440912D+01 -0.417184D+00  0.112340D+02  0.140472D+01  0.129776D+00
                66            67            68            69            70 
      1  -0.166591D+01 -0.531636D+00 -0.141618D+01 -0.285729D+01 -0.728214D+00
      2   0.621264D+00  0.126442D+01 -0.654965D-01  0.178393D+01 -0.226475D+01
      3   0.143150D+00  0.393573D+01 -0.512415D+01  0.697959D+00 -0.408714D-01
                71            72            73            74            75 
      1   0.221589D+01  0.160872D+00 -0.324748D+00  0.266240D+00  0.219902D+01
      2  -0.937234D+00  0.135102D+00 -0.782622D+00 -0.157660D-01  0.129125D+01
      3   0.885228D+00  0.438849D+00 -0.829294D+01  0.177459D+01 -0.495511D-01
                76            77            78            79            80 
      1  -0.118296D+01  0.850516D+00 -0.409823D+01 -0.273223D+01  0.144555D+01
      2  -0.411362D+00  0.651830D+00 -0.227529D+01 -0.176418D+01 -0.174108D+00
      3   0.400592D+01  0.121116D+01  0.396084D+00  0.442590D+00 -0.460185D+00
                81            82            83            84            85 
      1   0.505252D+00  0.753936D+00  0.484320D+00 -0.212030D+01  0.768101D+00
      2   0.488343D+00  0.104819D+01  0.516207D+00  0.105011D+01  0.733273D+00
      3   0.104840D+01  0.714868D+01  0.342293D+01 -0.118239D+01  0.531598D+01
                86            87            88            89            90 
      1   0.137434D+01 -0.456099D+01  0.117665D+01  0.185576D+01  0.457506D+00
      2   0.617156D+00  0.143954D+01 -0.887080D+00  0.385209D+00 -0.543451D+00
      3   0.357078D+01 -0.114092D+01 -0.138318D+01 -0.126111D+01 -0.393750D+00
                91            92            93            94            95 
      1   0.268589D+01  0.108977D+01 -0.179579D+01  0.490031D+01 -0.499337D+00
      2  -0.574146D+01 -0.197853D+01 -0.643011D+01 -0.265493D+01 -0.873921D+01
      3   0.101054D+02  0.324353D+00  0.254144D+01  0.200210D+02 -0.180209D+02
                96            97            98            99           100 
      1  -0.219853D+01 -0.268010D+01  0.538207D+01  0.127945D+01  0.129799D+01
      2  -0.309586D+01 -0.325601D+02 -0.392641D+00  0.380588D+01 -0.122506D+02
      3   0.782147D+01  0.120393D+00  0.110998D+02  0.818902D+01  0.709995D+00
               101           102           103           104           105 
      1  -0.600804D+01  0.615138D+00 -0.251606D+01  0.434099D+01 -0.113511D+02
      2   0.206409D+01  0.172470D+02 -0.379911D+00  0.184481D+02  0.627829D+01
      3  -0.134164D+02 -0.107054D+01 -0.804017D+01  0.812428D+01 -0.154389D+02
               106           107           108           109           110 
      1   0.310894D+01 -0.551853D+01 -0.514228D+01 -0.317661D+01  0.127178D+01
      2   0.158520D+02  0.326731D+01 -0.358561D+01  0.126686D+02  0.494250D+01
      3   0.511438D+01 -0.146026D+02 -0.775754D+01 -0.701921D+01  0.856984D+01
               111           112           113           114           115 
      1   0.953659D+01 -0.914337D+01 -0.699513D+01 -0.815162D+01  0.848823D+01
      2   0.207850D+01  0.616614D+01  0.416383D+01 -0.816428D+01  0.583471D+01
      3  -0.721555D+01  0.863549D+01  0.156138D+02 -0.261793D+01 -0.115782D+02
               116           117           118           119           120 
      1  -0.126395D+00  0.542437D+01  0.129832D+01 -0.109146D+01  0.105014D+01
      2  -0.206890D+01  0.432189D+01  0.301031D+01 -0.107990D+01  0.483793D+01
      3  -0.597656D+01 -0.429303D+01  0.876700D+01 -0.608309D+01 -0.181796D+00
               121           122           123           124           125 
      1  -0.131304D+01  0.246760D+01 -0.309918D+01  0.894999D+00 -0.465104D+00
      2  -0.157603D+01  0.498216D+01 -0.499228D+01  0.310590D+01 -0.366722D+01
      3  -0.124778D+01  0.209684D+02 -0.400402D+01 -0.958678D+00 -0.514181D+01
               126           127           128           129           130 
      1   0.779339D+00 -0.251671D+01  0.264375D+01 -0.820097D+00  0.105163D+01
      2   0.217684D+01 -0.279154D+01  0.309741D+01 -0.436890D+01  0.284365D+01
      3   0.257636D+01 -0.473646D+01  0.374691D+01 -0.143430D+01  0.345293D+01
               131           132           133           134           135 
      1  -0.110909D+02  0.340804D+01 -0.312033D+00  0.495267D+01 -0.294882D+01
      2  -0.997765D+01  0.894004D+01 -0.240374D+01  0.496780D+01 -0.700995D+01
      3  -0.173166D+02  0.914294D+01  0.430102D-01  0.594755D+01 -0.514988D+01
               136           137           138           139           140 
      1  -0.134096D+01 -0.242972D+01  0.813653D+00 -0.241459D+01 -0.746202D+00
      2   0.114268D+02 -0.132602D+00  0.692071D+01  0.244594D+00 -0.884069D+00
      3  -0.437543D+01 -0.577292D+01  0.701726D+00 -0.388232D+01 -0.723041D+00
               141           142           143           144           145 
      1   0.447420D+00  0.137821D-01  0.135269D+01  0.166679D+00  0.184798D+01
      2  -0.456387D+00  0.173405D+01  0.517582D-01  0.973877D+00 -0.518742D+01
      3   0.264063D+01 -0.524567D+00  0.259122D+01 -0.212601D+00  0.386921D+01
               146           147           148           149           150 
      1   0.303561D+01  0.203481D+00  0.186783D+01  0.608810D+01  0.260680D+01
      2  -0.455083D+01 -0.800747D+01 -0.294611D+01 -0.120458D+02 -0.129060D+02
      3   0.438547D+01  0.292968D+01  0.396636D+01  0.114935D+02  0.102141D+02
               151           152           153           154           155 
      1  -0.238189D+00  0.489069D+01  0.249818D+01  0.354511D+01  0.708900D+00
      2  -0.431116D+01 -0.973551D+01 -0.176436D+02 -0.114570D+02 -0.190187D+01
      3   0.951718D-01  0.759536D+01  0.912213D+01 -0.797237D+01 -0.204746D+02
               156           157           158           159           160 
      1  -0.584305D+01  0.645988D+01  0.432284D+01 -0.352273D+01 -0.347811D+01
      2   0.196261D+02 -0.125845D+01 -0.427662D+01  0.109880D+02  0.669751D+01
      3   0.244809D+00 -0.166875D+02 -0.223619D+02  0.591349D+00  0.277287D+01
               161           162           163           164           165 
      1   0.158463D+01  0.147268D+01  0.414318D+01  0.206063D+01 -0.274831D+01
      2   0.398418D+01 -0.852312D+01 -0.960065D+01 -0.429122D+01  0.222089D+01
      3   0.328002D+01 -0.304749D+01 -0.618178D+01 -0.392468D+01  0.123145D+01
               166           167           168           169           170 
      1   0.652600D+01  0.406496D+01  0.209831D+01 -0.245529D+00  0.696340D+01
      2  -0.803858D+01  0.506691D+01  0.726036D+01 -0.412170D+01  0.308202D+01
      3   0.342906D+00 -0.420716D+01 -0.832765D+01  0.309530D+01 -0.207157D+01
               171           172           173           174           175 
      1  -0.274262D+01 -0.637618D+01 -0.286567D+01  0.512356D+00 -0.748094D+01
      2   0.217506D+02  0.191336D+02  0.351157D+01 -0.584574D+01  0.788835D+01
      3  -0.360279D+01  0.213037D+01  0.231774D+01  0.150637D+01  0.715006D+01
               176           177           178           179           180 
      1  -0.246595D+01 -0.170979D+01 -0.321365D-01  0.305955D-01 -0.549405D+00
      2   0.318142D+01 -0.370390D+01 -0.230567D+01 -0.875984D+00  0.443029D+01
      3   0.100913D+01  0.373928D+00  0.142393D+01  0.592715D+00  0.732466D+00
               181           182           183           184           185 
      1  -0.199012D+00  0.192203D+01  0.504559D+01  0.256121D+01 -0.680192D+00
      2  -0.631085D+01 -0.254608D+01  0.612036D+01 -0.970923D+00 -0.708600D+01
      3  -0.270148D+02 -0.146286D+02  0.305061D+01 -0.859549D+01 -0.235477D+02
               186           187           188           189           190 
      1  -0.266284D+01  0.140444D+02  0.412829D+01 -0.227623D+01 -0.136456D+01
      2  -0.154174D+01 -0.325381D+01 -0.891614D+01  0.106863D+01 -0.462680D+01
      3   0.530868D+01  0.252061D+01  0.723544D+01 -0.239900D+01  0.848696D+01
               191           192           193           194           195 
      1   0.295329D+01 -0.439687D+00  0.273573D+01  0.175288D+01  0.366490D+01
      2   0.425220D+01  0.164772D+00  0.109280D+02  0.212447D+01 -0.296436D+01
      3   0.188038D+02 -0.369891D+01  0.396729D+02  0.192898D+02 -0.526143D+01
               196           197           198           199           200 
      1  -0.311172D+01  0.122860D+02 -0.297293D+01 -0.378228D-01 -0.189500D+01
      2  -0.479234D+00 -0.510490D+01  0.946581D+00  0.101354D+01 -0.140432D+01
      3  -0.722896D+01 -0.421868D+01  0.561915D+01 -0.242360D+02 -0.899314D+01
               201           202           203           204           205 
      1   0.466091D+00 -0.167231D+01  0.130889D+01 -0.340791D+01 -0.364869D+01
      2   0.369068D+01 -0.687940D+01  0.389010D+01  0.443557D+01 -0.173283D+02
      3   0.206669D+01  0.179918D+01 -0.150533D+01 -0.173042D+01  0.404162D+01
               206           207           208           209           210 
      1   0.433220D+01  0.264506D+00  0.122354D+01 -0.267351D+01  0.725823D+00
      2   0.140922D+02 -0.430489D+01  0.381692D+01 -0.465548D+01  0.120308D+02
      3  -0.360099D+01 -0.663817D+01  0.882381D+01 -0.358220D+02  0.386395D+01
               211           212           213           214           215 
      1   0.501973D+00 -0.757631D+00 -0.571077D+01  0.245863D+01 -0.658997D+00
      2  -0.320294D-01  0.245426D+01  0.576913D+01 -0.495269D+01 -0.356253D+01
      3   0.166498D+01  0.122134D+02 -0.286122D+01 -0.545153D-01  0.120218D+01
               216           217           218           219           220 
      1   0.983701D+00 -0.119971D+01  0.416741D+00 -0.102783D+01  0.218712D+01
      2  -0.761502D+00 -0.560421D+01 -0.129742D+01  0.767797D+01 -0.342963D+01
      3   0.151852D+01 -0.305132D+02 -0.283743D+01  0.347811D+01  0.692106D+01
               221           222           223           224           225 
      1   0.329179D+01  0.497964D+01  0.901776D+01  0.639963D+01 -0.143550D+01
      2  -0.703374D+01 -0.312137D+02 -0.690365D+01 -0.199872D+02  0.150914D+02
      3   0.170513D+02  0.744633D+01  0.393471D+01  0.598767D+01  0.254074D+02
               226           227           228           229           230 
      1   0.211285D+00 -0.318123D+00 -0.200399D+01  0.111951D+00 -0.782035D+00
      2   0.204225D+01  0.182008D+01 -0.120753D+00  0.138998D+01  0.354862D+01
      3   0.950142D+01  0.803224D+01 -0.198600D+01  0.698837D+01  0.179193D+02
               231           232           233           234           235 
      1  -0.414527D+01  0.147183D+01  0.184159D+01  0.341512D+00 -0.816796D+00
      2  -0.679600D+00 -0.485401D+00 -0.129681D+01  0.137802D+00 -0.985103D+00
      3  -0.356938D+01 -0.199023D+01 -0.387721D+01  0.488287D+00 -0.340651D+00
               236           237           238           239           240 
      1   0.912230D+00  0.212503D+01 -0.249222D+00 -0.800779D+00 -0.370766D+01
      2   0.112774D+00  0.253410D+01 -0.110781D+01  0.114723D+01 -0.389543D+01
      3  -0.555534D+01  0.510288D+00 -0.595814D+01  0.158169D+02 -0.127285D+01
               241           242           243           244           245 
      1  -0.256706D+01  0.114251D+01  0.593617D+00  0.217239D+00 -0.388913D-01
      2  -0.209423D+01 -0.144221D+01  0.127810D+01 -0.815906D+00 -0.756297D+00
      3   0.194841D+01 -0.232777D+01  0.189438D+01 -0.148426D+01 -0.252259D+01
               246           247           248           249           250 
      1  -0.107847D+01  0.238321D+00 -0.215728D+00 -0.267158D+01 -0.550841D+00
      2   0.125717D+01 -0.857344D+00 -0.276921D+01  0.298896D+01 -0.111775D+01
      3   0.428441D+00 -0.516335D+00 -0.134687D+02  0.229214D+01  0.554227D+00
               251           252           253           254           255 
      1   0.155463D+01  0.323737D+00 -0.131599D+00  0.608971D+00  0.137242D+01
      2  -0.706546D+00 -0.235870D+00 -0.649461D+01  0.729280D+00 -0.548138D+01
      3   0.300679D+01 -0.241589D-01  0.350675D-01  0.286712D+01 -0.238238D+01
               256           257           258           259           260 
      1  -0.302667D+00 -0.292883D+00 -0.187459D+01 -0.163502D+01  0.135186D+01
      2  -0.324613D+01 -0.818561D+01  0.132216D+02  0.714795D+01  0.119344D+02
      3  -0.402063D+01 -0.120810D+02  0.992763D+01  0.417894D+01  0.101727D+02
               261           262           263           264           265 
      1   0.502755D+01  0.673050D+00 -0.568238D+00 -0.437767D+00 -0.594668D+00
      2  -0.350423D+02  0.122561D+01  0.458343D-01  0.857764D+01  0.425411D+00
      3  -0.160165D+02  0.149349D+02 -0.984171D+01 -0.855706D+00 -0.871504D+01
               266           267           268           269           270 
      1   0.173856D+00 -0.765633D+00 -0.119302D+01  0.167872D+00  0.184034D+00
      2   0.925868D+00 -0.113550D+01  0.791203D+01  0.669285D+00 -0.157638D+01
      3   0.628166D+01 -0.533160D+00 -0.889559D+00 -0.816337D+00 -0.611406D+00
               271           272           273           274           275 
      1  -0.267249D+00  0.731835D-01  0.904797D+00 -0.119922D+01 -0.255873D+01
      2   0.683742D+01  0.725598D+00 -0.244429D+01  0.492686D+01  0.111676D+02
      3  -0.314458D+01  0.168105D+01  0.527555D+00 -0.923852D+01 -0.246937D+02
               276           277           278           279 
      1  -0.449835D+01 -0.248618D+01 -0.133201D+01 -0.521896D+01
      2   0.141855D+02  0.524259D+01  0.128977D+02  0.181608D+02
      3  -0.134408D+02 -0.620773D+01 -0.149503D+02 -0.155044D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.748382D+02  0.468004D+02 -0.484686D+01 -0.738382D+02  0.131972D+01
      2   0.382288D+02 -0.325643D+02  0.402515D+01  0.381199D+02  0.757812D+01
      3   0.366094D+02 -0.142361D+02  0.821710D+00  0.357183D+02 -0.889784D+01
      4   0.259568D+02  0.101739D+02 -0.351379D+01  0.905511D+01 -0.213272D+02
      5  -0.820784D+01 -0.417666D+01  0.206204D-01 -0.529452D+01  0.721895D+01
      6   0.227019D+01  0.201932D+01  0.156554D+01  0.415833D+01 -0.566412D+01
                 6             7             8             9            10 
      1   0.278675D+01  0.182684D+02 -0.517560D+01 -0.104661D+02  0.113909D+03
      2  -0.451444D+01 -0.849071D+01  0.192300D+01 -0.582428D+00 -0.545379D+02
      3   0.172769D+01 -0.977765D+01  0.325260D+01  0.110485D+02 -0.593711D+02
      4   0.404541D+01 -0.316359D+01  0.326740D+01 -0.667445D+00  0.134162D+02
      5   0.303329D+01  0.158034D+01 -0.120601D+01  0.607563D+00 -0.199635D+00
      6  -0.237667D+00  0.141911D+01  0.393558D+01  0.121914D+01 -0.704293D+01
                11            12            13            14            15 
      1   0.280042D+01 -0.907692D+01  0.586051D+02 -0.369850D+02  0.244586D+01
      2  -0.667493D+01  0.508210D+01 -0.217285D+02  0.263053D+02 -0.475604D+01
      3   0.387451D+01  0.399482D+01 -0.368766D+02  0.106797D+02  0.231019D+01
      4   0.151447D+02 -0.539492D+01 -0.314466D+02  0.165961D+02 -0.743930D+00
      5  -0.791580D+01 -0.911509D+01  0.986119D+01 -0.219014D+01 -0.394001D-01
      6   0.461207D+01  0.162892D+01 -0.405488D+01 -0.925925D+00 -0.146567D+01
                16            17            18            19            20 
      1  -0.185939D+02  0.595911D+01 -0.420285D+01  0.396081D+02 -0.501666D+02
      2   0.801590D+01 -0.416875D+01 -0.317828D+01 -0.200240D+02  0.376158D+02
      3   0.105780D+02 -0.179035D+01  0.738113D+01 -0.195841D+02  0.125508D+02
      4   0.594520D+01 -0.309309D+01  0.372613D+01 -0.279751D+02 -0.119409D+02
      5   0.199137D+01  0.265858D+01  0.129253D+01  0.107121D+02  0.433739D+01
      6   0.452811D+01  0.348459D+01  0.184495D+01 -0.207486D+01 -0.112278D+01
                21            22            23            24            25 
      1   0.627782D+01  0.677749D+01  0.326627D+02 -0.560027D+01 -0.414844D+01
      2  -0.525423D+01 -0.189541D+02 -0.322087D+02  0.667006D+01  0.645054D+01
      3  -0.102358D+01  0.121766D+02 -0.453972D+00 -0.106979D+01 -0.230210D+01
      4   0.346255D+01  0.152151D+02 -0.259991D+01  0.238943D+01 -0.861201D+00
      5  -0.295928D+01 -0.706126D+01  0.306243D+01  0.600297D+01  0.421236D+01
      6   0.580996D+00  0.850098D+01  0.567958D+01  0.164726D+01  0.244329D+01
                26            27            28            29            30 
      1  -0.138829D+01 -0.739823D+01  0.509315D+01 -0.121554D+01  0.238409D+01
      2   0.523113D+01 -0.679119D+01 -0.185462D+02 -0.172574D+01 -0.103337D+01
      3  -0.384284D+01  0.141894D+02  0.134531D+02  0.294128D+01 -0.135072D+01
      4   0.498477D+01  0.379869D+01 -0.212873D+01  0.125152D+02  0.250900D+00
      5   0.853508D+01 -0.219145D+01 -0.116825D+02  0.230938D+01  0.889447D+01
      6   0.463571D+01 -0.205110D+00  0.917020D+01 -0.132195D+01 -0.258487D+01
                31            32            33            34            35 
      1   0.139701D+02 -0.664469D+02  0.916494D+01 -0.219555D+01  0.110131D+02
      2  -0.368173D+01  0.619916D+02 -0.127379D+02 -0.488153D+00 -0.117126D+02
      3  -0.102884D+02  0.445532D+01  0.357301D+01  0.268371D+01  0.699454D+00
      4  -0.397012D+02 -0.116128D+02  0.487967D+01  0.138714D+02  0.303679D+01
      5   0.123664D+02  0.540602D+01 -0.111580D+01  0.282717D+02 -0.565644D+01
      6  -0.144995D+01 -0.624726D+01 -0.232412D+01 -0.618233D+01  0.590718D+01
                36            37            38            39            40 
      1  -0.133249D+01 -0.233434D+01  0.666004D+02 -0.126435D+02 -0.191293D+02
      2  -0.695734D+01 -0.427471D+01 -0.520257D+02  0.763730D+01  0.200279D+02
      3   0.828983D+01  0.660904D+01 -0.145747D+02  0.500620D+01 -0.898605D+00
      4  -0.331099D+00  0.240040D+02 -0.107300D+02 -0.745068D+00  0.190087D+02
      5  -0.789797D+00 -0.385020D+01 -0.398642D+01  0.220169D+01  0.248418D+01
      6   0.492228D+01 -0.311116D+01  0.414595D+01 -0.914801D+01 -0.978146D+01
                41            42            43            44            45 
      1   0.290518D+02 -0.844047D+01  0.547942D+01 -0.142981D+02 -0.129780D+02
      2  -0.325069D+02  0.785153D+01 -0.958538D+01  0.157168D+02  0.267887D+01
      3   0.345507D+01  0.588943D+00  0.410596D+01 -0.141868D+01  0.102991D+02
      4   0.166740D+02 -0.712657D+01 -0.129944D+01 -0.559074D+01 -0.671082D+01
      5  -0.846035D+01 -0.595529D+01  0.167058D+02 -0.719083D+01  0.406677D+01
      6   0.907164D+01  0.516264D+01 -0.183802D+02  0.156564D+02  0.527144D+00
                46            47            48            49            50 
      1   0.277363D+01 -0.547352D+02  0.820337D+01  0.212920D+02  0.122385D+02
      2  -0.133787D+01  0.431248D+02 -0.400177D+01 -0.198138D+02 -0.165294D+02
      3  -0.143576D+01  0.116104D+02 -0.420159D+01 -0.147824D+01  0.429094D+01
      4  -0.208540D+02 -0.911109D+01  0.427563D+01  0.142008D+02 -0.964961D+01
      5   0.539117D+01  0.641395D+01 -0.738832D-01 -0.245948D+01  0.151314D+01
      6   0.341583D+01 -0.168818D+00  0.789864D+01  0.336289D+01  0.104391D+02
                51            52            53            54            55 
      1  -0.758567D+01 -0.494267D+01 -0.303112D+01 -0.196046D+02 -0.276150D+02
      2   0.840474D+01  0.665507D+01  0.945250D+01  0.775092D+01  0.112230D+02
      3  -0.819070D+00 -0.171240D+01 -0.642138D+01  0.118537D+02  0.163920D+02
      4   0.293953D+01  0.135402D+01  0.617766D+01  0.618636D+01 -0.222829D+01
      5   0.107066D+01  0.523244D+01  0.289523D+01 -0.335297D+00 -0.110448D+01
      6   0.443128D+01  0.577824D+01  0.194148D+02 -0.508618D+01  0.350088D+01
                56            57            58            59            60 
      1  -0.413035D+02  0.728326D+01  0.133625D+02  0.207174D+02 -0.933742D+01
      2   0.351117D+02 -0.271135D+01 -0.120042D+02 -0.214472D+02  0.892454D+01
      3   0.619176D+01 -0.457190D+01 -0.135837D+01  0.729804D+00  0.412876D+00
      4  -0.445046D+02  0.752558D+01  0.139700D+02 -0.281920D+01 -0.121460D+01
      5   0.107837D+02 -0.854202D+01 -0.273968D+01 -0.284377D+01 -0.170514D+01
      6  -0.294871D+01  0.895311D+01  0.298362D+01  0.101737D+02  0.334213D+01
                61            62            63            64            65 
      1  -0.217253D+01 -0.619408D+01 -0.244896D+02  0.302256D+01 -0.666730D+00
      2   0.552961D+01  0.115762D+02  0.751512D+01 -0.241592D+00  0.210422D+01
      3  -0.335708D+01 -0.538211D+01  0.169745D+02 -0.278097D+01 -0.143749D+01
      4  -0.258658D+01  0.277003D+01 -0.446844D+01  0.101463D+02  0.100862D+02
      5  -0.112644D+01 -0.862827D+01  0.587141D+01 -0.206873D+01 -0.216650D+01
      6   0.670102D+01  0.170885D+02 -0.560480D+01 -0.179410D+01 -0.139189D+01
                66            67            68            69            70 
      1   0.457971D+00 -0.298864D+01 -0.138382D+02  0.309839D+01  0.870536D+00
      2  -0.378279D-01  0.531672D+01  0.167592D+02 -0.122130D+01 -0.543368D+00
      3  -0.420143D+00 -0.232807D+01 -0.292100D+01 -0.187709D+01 -0.327169D+00
      4  -0.162481D+01  0.132880D+02  0.181127D+02 -0.307211D+01 -0.248738D+01
      5   0.294916D+01 -0.363306D+01 -0.331435D+01  0.373037D+01  0.183014D+01
      6   0.161426D+01 -0.285865D+01 -0.591291D+01  0.505397D+01  0.236790D+01
                71            72            73            74            75 
      1   0.207695D+01 -0.281294D+01 -0.103366D+01  0.705794D+01 -0.858420D+00
      2  -0.182513D+01  0.253015D+01  0.102625D+02 -0.158726D+02  0.132698D+01
      3  -0.251816D+00  0.282797D+00 -0.922884D+01  0.881462D+01 -0.468558D+00
      4  -0.340294D+01  0.255629D+01 -0.217319D+02  0.217110D+02 -0.232503D+01
      5   0.999444D+00 -0.104041D+01  0.182357D+01 -0.232983D+01  0.299236D+01
      6   0.300640D+01 -0.212529D+01 -0.113875D+01  0.145713D+01 -0.307550D+01
                76            77            78            79            80 
      1   0.120961D+02 -0.289805D+02  0.360151D+01 -0.252722D+01  0.467371D+01
      2  -0.227610D+02  0.467940D+02 -0.431170D+01  0.437534D+01 -0.658653D+01
      3   0.106649D+02 -0.178135D+02  0.710194D+00 -0.184812D+01  0.191282D+01
      4   0.238171D+02 -0.328610D+02  0.363552D+01 -0.342915D+01  0.437121D+01
      5  -0.322284D+01  0.408552D+01 -0.365969D+01  0.565286D+00 -0.234704D+01
      6   0.373598D+01 -0.526637D+01  0.692099D+01  0.716881D+00  0.364647D+01
                81            82            83            84            85 
      1  -0.159935D+01 -0.558291D+01 -0.103617D+02  0.235879D+01 -0.960835D+01
      2   0.304762D+01  0.100462D+02  0.167294D+02 -0.250197D+01  0.138819D+02
      3  -0.144827D+01 -0.446328D+01 -0.636769D+01  0.143182D+00 -0.427352D+01
      4  -0.311724D+01  0.119644D+02  0.188046D+02 -0.325052D+01  0.125904D+02
      5   0.116115D+01 -0.134038D+01 -0.181883D+01  0.289333D+01 -0.136701D+01
      6  -0.208672D+01 -0.253800D+01 -0.367389D+01  0.364052D+01 -0.294896D+01
                86            87            88            89            90 
      1  -0.398364D+02  0.757004D+01  0.238221D+01  0.815881D+01 -0.255369D+01
      2   0.564655D+02 -0.831848D+01 -0.318318D+01 -0.101391D+02  0.333855D+01
      3  -0.166291D+02  0.748446D+00  0.800969D+00  0.198029D+01 -0.784856D+00
      4   0.263268D+02 -0.426778D+01 -0.308048D+01 -0.503752D+01  0.345944D+01
      5  -0.183802D+01  0.223999D+01  0.111947D+01  0.277119D+01 -0.153032D+01
      6  -0.103990D+02  0.881610D+01  0.949061D+00  0.529579D+01 -0.299791D+01
                91            92            93            94            95 
      1  -0.364241D+00  0.189941D+01 -0.121601D+02 -0.499786D+01 -0.337788D+01
      2   0.629456D+01  0.214388D+01  0.991332D+00  0.106314D+02 -0.963371D+01
      3  -0.593032D+01 -0.404329D+01  0.111687D+02 -0.563350D+01  0.130116D+02
      4  -0.368605D+01 -0.148838D+02 -0.369461D+01 -0.168620D+02  0.358198D+02
      5  -0.182690D+01 -0.470485D+01 -0.211013D+02  0.112933D+01 -0.135679D+02
      6  -0.320066D+01  0.124892D+01  0.105591D+01 -0.284603D+01  0.289380D+01
                96            97            98            99           100 
      1  -0.251779D+01 -0.388358D+00 -0.423715D+01 -0.201086D+02 -0.729344D+02
      2   0.213776D+01 -0.122864D+02  0.875727D+01  0.192716D+02  0.403653D+02
      3   0.380035D+00  0.126747D+02 -0.452012D+01  0.837033D+00  0.325691D+02
      4  -0.156404D+02 -0.559770D+01 -0.175196D+02 -0.440235D+01  0.111222D+02
      5  -0.634282D+01 -0.563825D+02  0.500368D+00  0.159612D+02  0.368363D+02
      6   0.305660D+01  0.296081D+01 -0.179399D+00 -0.146064D+01 -0.364262D+01
               101           102           103           104           105 
      1   0.712641D+01  0.268521D+02  0.437916D+01  0.298181D+02  0.825077D+01
      2  -0.314025D+01 -0.660871D+01 -0.538230D+01 -0.529541D+01  0.393412D+00
      3  -0.398615D+01 -0.202434D+02  0.100314D+01 -0.245227D+02 -0.864418D+01
      4   0.172643D+02  0.129213D+01  0.158630D+02 -0.143014D+02  0.235393D+02
      5   0.859030D+00  0.113402D+02 -0.662374D+00  0.155291D+02  0.794955D+01
      6  -0.111139D+02 -0.324709D+01 -0.654298D+01  0.381995D+01 -0.192363D+02
               106           107           108           109           110 
      1   0.476766D+01  0.820471D+01  0.210276D+02 -0.709472D+02 -0.214590D+02
      2   0.143293D+02 -0.316187D+01 -0.212916D+02  0.267844D+02  0.242268D+01
      3  -0.190970D+02 -0.504284D+01  0.263962D+00  0.441628D+02  0.190363D+02
      4   0.140879D+01  0.203782D+02  0.508095D+01 -0.364706D+02 -0.226716D+02
      5   0.368262D+02  0.263847D+01 -0.274447D+02  0.546230D+01 -0.666184D+00
      6  -0.353857D+01 -0.144526D+02 -0.719711D+01 -0.129250D+00  0.207202D+01
               111           112           113           114           115 
      1   0.543072D+01 -0.303772D+02 -0.136685D+02  0.852207D+01  0.285860D+02
      2  -0.345397D+01  0.663281D+01  0.471513D+01 -0.123902D+01 -0.120831D+02
      3  -0.197675D+01  0.237444D+02  0.895337D+01 -0.728305D+01 -0.165029D+02
      4   0.250729D+01 -0.102080D+02 -0.211396D+02  0.930694D+01  0.106494D+02
      5  -0.353314D+01 -0.128309D+01  0.682150D+01 -0.440195D+01  0.187952D+02
      6  -0.400632D+01  0.276523D+01 -0.357690D+01  0.195335D+00  0.261232D+01
               116           117           118           119           120 
      1   0.531042D+01  0.191399D+02  0.752731D+01 -0.970991D+01  0.518110D+01
      2  -0.190217D+01 -0.216006D+01  0.285700D+01  0.415709D+00 -0.140913D+01
      3  -0.340824D+01 -0.169799D+02 -0.103843D+02  0.929421D+01 -0.377196D+01
      4   0.136726D+02  0.404545D+01 -0.211064D+02  0.206386D+02 -0.123934D+01
      5   0.284570D+01  0.429411D+01  0.632225D+01 -0.706194D+00  0.961929D+01
      6  -0.163315D+01 -0.124107D+01 -0.152665D+01  0.638887D+00 -0.102110D+01
               121           122           123           124           125 
      1  -0.158284D+02 -0.188602D+01 -0.264637D+00  0.653958D+01  0.149075D+01
      2   0.237008D+01  0.195708D+02 -0.309948D+01 -0.224351D+01 -0.469869D+01
      3   0.134583D+02 -0.176848D+02  0.336411D+01 -0.429606D+01  0.320795D+01
      4   0.229488D+02 -0.490436D+02  0.836408D+01 -0.315132D+01  0.115907D+02
      5  -0.223059D+01  0.753035D+01 -0.101577D+02  0.120922D+02 -0.832290D+01
      6   0.659027D+00 -0.260456D+01  0.445308D+01 -0.253327D+01  0.627910D+01
               126           127           128           129           130 
      1   0.289221D+01  0.123735D+01  0.696797D+01 -0.905785D+01  0.100234D+02
      2  -0.596742D+00 -0.124074D+01 -0.314772D+01  0.608280D+00 -0.669397D+01
      3  -0.229547D+01  0.339056D-02 -0.382025D+01  0.844957D+01 -0.332948D+01
      4  -0.903024D+01  0.403666D+01 -0.451774D+01  0.162220D+01  0.121794D+01
      5   0.410094D+01 -0.258667D+01 -0.109482D+01 -0.348820D+01 -0.891313D+01
      6  -0.251476D+01 -0.346137D+01  0.453090D+01 -0.175748D+01  0.647013D+00
               131           132           133           134           135 
      1  -0.159742D+02  0.869537D+01 -0.411756D+01  0.572795D+01 -0.114938D+02
      2   0.591618D+01  0.353033D+01  0.145977D+01  0.179066D+01 -0.168646D+01
      3   0.100580D+02 -0.122257D+02  0.265779D+01 -0.751861D+01  0.131803D+02
      4   0.291034D+02 -0.154209D+02 -0.903287D+00 -0.104395D+02  0.910268D+01
      5  -0.115236D+02  0.162047D+02  0.223055D+01  0.733685D+01 -0.888750D+01
      6  -0.198223D+02  0.133029D+02  0.455499D+00  0.106028D+02 -0.753187D+01
               136           137           138           139           140 
      1   0.109933D+03 -0.566789D+01 -0.192514D+02 -0.438142D+01  0.712056D+01
      2  -0.649137D+02  0.239476D+01  0.176825D+02  0.114086D+01 -0.462181D+01
      3  -0.450189D+02  0.327313D+01  0.156889D+01  0.324056D+01 -0.249875D+01
      4  -0.129641D+02  0.115612D+02  0.328060D+01  0.151342D+02 -0.136855D+01
      5  -0.609239D+02  0.366479D+01  0.284473D+02  0.237343D+01 -0.754028D+01
      6   0.491594D+01 -0.395313D+01 -0.196591D+01 -0.487238D+01  0.253191D+00
               141           142           143           144           145 
      1   0.608458D-03 -0.905618D+01 -0.978663D+00  0.996619D+01 -0.225821D+01
      2  -0.209710D+00  0.939592D+01 -0.142068D+00 -0.763550D+01 -0.438828D+00
      3   0.209101D+00 -0.339737D+00  0.112073D+01 -0.233069D+01  0.269704D+01
      4  -0.604266D+01  0.291671D+00 -0.338484D+01 -0.157203D+01 -0.404165D+01
      5  -0.149532D+01  0.184234D+02 -0.833763D+00 -0.785692D+01 -0.306512D+01
      6   0.430269D+01 -0.779539D+00  0.264469D+01  0.112590D+01  0.491395D+01
               146           147           148           149           150 
      1  -0.105340D+02 -0.156035D+02 -0.905025D+01 -0.202248D+02 -0.168672D+02
      2   0.420595D+01  0.171310D+01  0.585105D+01  0.857414D+01  0.273565D+00
      3   0.632804D+01  0.138905D+02  0.319920D+01  0.116506D+02  0.165936D+02
      4  -0.486870D+01 -0.265887D+01  0.171329D+01 -0.199410D+02 -0.186419D+02
      5  -0.139868D+00 -0.545274D+01  0.730245D+01 -0.144696D+02 -0.200725D+02
      6   0.671382D+01  0.588951D+01  0.723460D+00  0.190876D+02  0.195556D+02
               151           152           153           154           155 
      1  -0.605916D+01 -0.130449D+02 -0.260311D+02  0.161569D+03  0.342322D+02
      2   0.224919D+01 -0.330795D+00 -0.348585D+01 -0.714260D+02 -0.941060D+01
      3   0.380997D+01  0.133757D+02  0.295169D+02 -0.901428D+02 -0.248216D+02
      4   0.204415D+01 -0.135868D+02 -0.153217D+02  0.578906D+02  0.419772D+02
      5   0.345834D+01 -0.134015D+02 -0.240220D+02  0.101147D+02  0.370708D+01
      6   0.228005D+00  0.151688D+02  0.185540D+02 -0.250750D+00  0.929838D+00
               156           157           158           159           160 
      1  -0.653546D+01  0.467112D+02  0.327753D+02 -0.428842D+01 -0.743732D+01
      2  -0.108368D+01 -0.105152D+02 -0.166473D+01 -0.687228D+00 -0.213585D+00
      3   0.761914D+01 -0.361960D+02 -0.311105D+02  0.497564D+01  0.765090D+01
      4  -0.579435D-01  0.594277D+02  0.498417D+02 -0.488700D+01 -0.455445D+01
      5   0.308881D+02  0.137966D+01 -0.209957D+00  0.149881D+02  0.304417D+02
      6   0.540901D+01  0.331427D+01  0.313363D+01  0.669287D+01  0.654201D+01
               161           162           163           164           165 
      1  -0.317055D+01  0.182892D+02  0.366883D+02  0.119322D+02  0.103924D+02
      2  -0.761429D+00 -0.103637D+02 -0.236128D+02 -0.418334D+01 -0.765810D+01
      3   0.393198D+01 -0.792552D+01 -0.130754D+02 -0.774888D+01 -0.273429D+01
      4  -0.800702D+01  0.119091D+02  0.194519D+02  0.106785D+02  0.155829D+01
      5   0.108755D+02 -0.763182D+01  0.230937D+02  0.309768D+01  0.170246D+02
      6   0.580768D+01 -0.327094D+00  0.860570D+01  0.164230D+01  0.466590D+00
               166           167           168           169           170 
      1   0.169669D+02 -0.581269D+01 -0.755213D+01 -0.459661D+01 -0.542244D+01
      2  -0.851620D+01  0.287446D+01  0.173784D+01 -0.210821D+01  0.142589D+01
      3  -0.845072D+01  0.293822D+01  0.581429D+01  0.670482D+01  0.399654D+01
      4   0.108724D+02  0.642232D+01  0.111092D+02 -0.168443D+01  0.281344D+01
      5   0.100574D+02  0.120225D+02  0.100085D+02  0.149808D+02  0.445820D+01
      6   0.244909D+01  0.642783D+01  0.121979D+02  0.368273D+00  0.102191D+02
               171           172           173           174           175 
      1  -0.271618D+02 -0.393000D+02 -0.803001D+01  0.839711D+01 -0.178669D+02
      2  -0.147399D+02  0.210937D+02  0.351778D+01  0.291446D+01  0.109970D+02
      3   0.419017D+02  0.182064D+02  0.451223D+01 -0.113116D+02  0.686989D+01
      4   0.292063D+01 -0.170848D+02 -0.730196D+01 -0.109522D+01 -0.859117D+01
      5   0.425419D+02 -0.169358D+02 -0.381618D+01 -0.115185D+02 -0.947246D+01
      6   0.759780D+01 -0.668339D+01 -0.402326D+01 -0.192654D+01 -0.336484D+01
               176           177           178           179           180 
      1  -0.791415D+01  0.235633D+01 -0.141608D+01  0.424594D+00 -0.901475D+01
      2   0.438535D+01  0.243244D+01  0.594731D+01  0.514225D+00  0.255630D+01
      3   0.352880D+01 -0.478876D+01 -0.453123D+01 -0.938819D+00  0.645845D+01
      4  -0.367226D+01  0.149626D+01 -0.406434D+01 -0.204871D+00 -0.324778D+01
      5   0.336305D+00 -0.733359D+01 -0.659449D+01 -0.168104D+01  0.434028D+00
      6  -0.222217D+01  0.192825D+01 -0.200590D+01  0.118835D+01 -0.194348D+01
               181           182           183           184           185 
      1   0.375658D+02  0.562133D+02 -0.119297D+02 -0.363340D+02  0.266811D+02
      2  -0.248870D+02 -0.421719D+02  0.546195D+01  0.246644D+02 -0.272505D+02
      3  -0.126788D+02 -0.140414D+02  0.646778D+01  0.116695D+02  0.569317D+00
      4   0.184710D+02  0.267870D+02 -0.646746D+01  0.163553D+02  0.282831D+02
      5  -0.632465D+00 -0.927567D+01  0.121826D+02  0.235037D+01 -0.112541D+02
      6  -0.148317D+01  0.714984D+01 -0.961614D+01 -0.666761D+01  0.932697D+01
               186           187           188           189           190 
      1  -0.342927D+01  0.680193D+01 -0.107581D+02  0.694371D+00  0.130542D+03
      2   0.507499D+01 -0.125810D+02  0.145339D+02 -0.505049D+01 -0.714554D+02
      3  -0.164572D+01  0.577906D+01 -0.377576D+01  0.435612D+01 -0.590862D+02
      4  -0.111338D+02 -0.185202D+01 -0.137027D+02 -0.172773D+02 -0.166199D+02
      5  -0.533439D+01  0.264569D+02 -0.154105D+02  0.715173D+01  0.505901D+01
      6   0.405606D+01 -0.202580D+02  0.143080D+02 -0.127876D-01  0.194851D+00
               191           192           193           194           195 
      1  -0.310036D+02 -0.125438D+01 -0.845186D+02 -0.395670D+02  0.161066D+02
      2   0.126385D+02 -0.506441D+00  0.458414D+02  0.430014D+02 -0.161316D+02
      3   0.183651D+02  0.176082D+01  0.386772D+02 -0.343440D+01  0.250046D-01
      4   0.117003D+02 -0.971035D+00 -0.375416D+02 -0.533581D+02  0.998887D+01
      5  -0.900944D+00  0.387326D+01  0.160403D+02  0.100022D+02 -0.668533D+01
      6   0.213349D+01 -0.179747D+01  0.179590D+01 -0.112424D+02 -0.287754D+01
               196           197           198           199           200 
      1   0.123421D+02  0.120274D+02  0.186137D+02 -0.118576D+03 -0.785258D+01
      2  -0.790027D+01 -0.103838D+02 -0.170605D+02  0.570129D+02  0.137885D+02
      3  -0.444183D+01 -0.164365D+01 -0.155317D+01  0.615630D+02 -0.593593D+01
      4   0.153036D+02  0.568089D+01 -0.837815D+01 -0.139292D+02 -0.255021D+02
      5   0.416575D+02 -0.139738D+02  0.214403D+01  0.355409D+01  0.104942D+02
      6  -0.436704D+01  0.659526D+01  0.331463D+01  0.677040D+01 -0.505523D+01
               201           202           203           204           205 
      1   0.875300D+01  0.110144D+03  0.374516D+01 -0.910213D+01 -0.126193D+02
      2  -0.622124D+01 -0.682987D+02 -0.142080D+02  0.802677D+01  0.964843D+01
      3  -0.253176D+01 -0.418452D+02  0.104628D+02  0.107536D+01  0.297089D+01
      4   0.825326D+01  0.114785D+02  0.200597D+02  0.129782D+01  0.118829D+01
      5   0.455353D+01 -0.293589D+01  0.165969D+01  0.107697D+02  0.467491D+01
      6   0.868631D+00  0.320243D+01  0.909152D+01  0.455032D+01  0.196149D+01
               206           207           208           209           210 
      1  -0.317527D+00 -0.122267D+02  0.572518D+01 -0.117353D+01  0.275022D+01
      2   0.351352D+01 -0.479294D+01 -0.378126D+01 -0.190270D+00  0.574444D+00
      3  -0.319599D+01  0.170196D+02 -0.194391D+01  0.136380D+01 -0.332467D+01
      4   0.653604D+01  0.168427D+02 -0.162551D+02  0.131610D+02  0.243039D+01
      5   0.203049D+02 -0.834913D+01  0.201968D+01  0.158324D+01  0.218291D+02
      6   0.793031D+01  0.736813D+00  0.162396D+01 -0.654323D+00  0.718687D+00
               211           212           213           214           215 
      1  -0.134341D+02  0.157067D+01  0.259584D+01  0.405878D+01 -0.280483D+00
      2   0.509797D+01  0.208186D+01  0.201687D+01 -0.182179D+01  0.112796D+01
      3   0.833610D+01 -0.365253D+01 -0.461271D+01 -0.223699D+01 -0.847482D+00
      4   0.268948D+02 -0.235853D+02  0.399686D+01 -0.181388D+01  0.127583D+01
      5  -0.334992D+00  0.529442D+01  0.101667D+02  0.131176D+02 -0.754394D+01
      6  -0.682809D+00  0.267988D+01  0.853310D+01 -0.267861D+01  0.451738D+01
               216           217           218           219           220 
      1   0.271694D+01 -0.863846D+02  0.217070D+02  0.316293D+01  0.389450D+02
      2  -0.275467D+01  0.474224D+02 -0.108140D+02 -0.108514D+01 -0.193781D+02
      3   0.377348D-01  0.389622D+02 -0.108930D+02 -0.207779D+01 -0.195669D+02
      4  -0.767469D+01  0.252170D+02  0.147023D+02 -0.614077D+01 -0.977211D+01
      5  -0.221790D+01  0.206516D+01 -0.604442D+01  0.905715D+01 -0.783829D+01
      6  -0.176141D+01 -0.332091D+01 -0.103062D+01  0.238098D+01 -0.271054D+01
               221           222           223           224           225 
      1   0.694652D+01 -0.894774D+01 -0.136241D+01 -0.523525D+01  0.163541D+02
      2  -0.577374D+01 -0.405147D+01 -0.300430D+01 -0.299313D+01 -0.634760D+01
      3  -0.117279D+01  0.129992D+02  0.436670D+01  0.822838D+01 -0.100065D+02
      4  -0.112844D+02 -0.182580D+02 -0.608177D+01 -0.152437D+02 -0.362182D+02
      5  -0.185921D+02 -0.592639D+02 -0.961335D+01 -0.354656D+02  0.242385D+02
      6  -0.433909D+01 -0.149623D+02 -0.669095D+01 -0.999149D+01  0.716047D+01
               226           227           228           229           230 
      1  -0.994017D+01 -0.182948D+02  0.415745D+01 -0.105287D+02 -0.468876D+02
      2   0.101659D+02  0.194211D+02 -0.297051D+01  0.116136D+02  0.558570D+02
      3  -0.225781D+00 -0.112633D+01 -0.118694D+01 -0.108486D+01 -0.896940D+01
      4   0.420263D+01  0.655669D+01 -0.106323D+01  0.311388D+01 -0.422681D+01
      5  -0.510944D+00 -0.634836D+00  0.977888D+00  0.246373D-01  0.215526D+01
      6  -0.274153D+01 -0.470029D+01  0.374635D+01 -0.298481D+01 -0.132115D+02
               231           232           233           234           235 
      1   0.928027D+01  0.287327D+01  0.998007D+01 -0.290793D+01  0.183383D+02
      2  -0.809990D+01 -0.305028D+01 -0.998065D+01  0.328929D+01  0.118145D+01
      3  -0.118037D+01  0.177014D+00  0.584405D-03 -0.381357D+00 -0.195197D+02
      4   0.100982D+01 -0.361360D+00  0.777154D+00  0.104217D+01 -0.375052D+02
      5  -0.163740D+01  0.191420D+01 -0.585666D-01 -0.207838D+00  0.605986D+01
      6   0.904380D+01  0.193690D+00  0.598649D+01 -0.315167D+01 -0.277711D+01
               236           237           238           239           240 
      1  -0.991267D+01  0.104676D+01 -0.654559D+01 -0.398287D+01  0.330443D+00
      2  -0.702360D+01 -0.185686D-01 -0.138183D+02  0.310507D+02 -0.182565D+01
      3   0.169363D+02 -0.102819D+01  0.203639D+02 -0.270678D+02  0.149521D+01
      4   0.368884D+02 -0.376356D+01  0.437956D+02 -0.604407D+02  0.685378D+01
      5  -0.529874D+01  0.558545D+01 -0.797040D+01  0.942150D+01 -0.764664D+01
      6   0.285254D+01 -0.369353D+01  0.596700D+01 -0.788822D+01  0.730930D+01
               241           242           243           244           245 
      1  -0.166908D+00  0.880095D+00 -0.139927D+01  0.164296D+02  0.122682D+02
      2   0.312412D+01 -0.371536D+01  0.256017D+01 -0.605141D+01 -0.399084D+01
      3  -0.295721D+01  0.283527D+01 -0.116089D+01 -0.103782D+02 -0.827739D+01
      4  -0.615636D+01  0.813382D+01 -0.511531D+01  0.213427D+02  0.153914D+02
      5   0.120243D+01 -0.453442D+01  0.230329D+01 -0.449538D+01 -0.288445D+01
      6  -0.575782D+00  0.456233D+01 -0.231573D+01 -0.114628D+01 -0.109484D+01
               246           247           248           249           250 
      1  -0.313083D+01  0.153786D+02 -0.923164D-02 -0.727045D+00 -0.370096D+01
      2   0.155787D+01 -0.206836D+01  0.111721D+02 -0.241728D+00  0.159936D+01
      3   0.157296D+01 -0.133102D+02 -0.111629D+02  0.968773D+00  0.210160D+01
      4  -0.357157D+01  0.263265D+02  0.362865D+02 -0.698248D+01 -0.591909D+01
      5   0.315918D+01 -0.491152D+01 -0.560638D+01  0.585376D+01  0.232103D+01
      6   0.126482D+01 -0.223500D+01 -0.390095D+01  0.464153D+01  0.262309D+01
               251           252           253           254           255 
      1  -0.111109D+01 -0.575823D+00 -0.193904D+01  0.457307D+00 -0.129599D+02
      2  -0.909416D+00  0.166084D+01 -0.163562D+00 -0.688151D+00  0.425570D+01
      3   0.202051D+01 -0.108501D+01  0.210260D+01  0.230844D+00  0.870418D+01
      4  -0.771957D+01  0.260719D+01 -0.283513D+01 -0.273586D+01 -0.650803D+00
      5   0.974755D+00 -0.142414D+01 -0.815738D+01 -0.164108D-01 -0.664379D+01
      6   0.198768D+01 -0.187204D+01 -0.169167D+01  0.930983D+00 -0.268970D+01
               256           257           258           259           260 
      1   0.282460D+01 -0.216125D+00  0.182065D+01 -0.273158D+02 -0.212410D+01
      2  -0.152670D+01  0.951451D+00  0.384940D-01  0.180230D+02  0.246965D+01
      3  -0.129790D+01 -0.735326D+00 -0.185915D+01  0.929280D+01 -0.345543D+00
      4   0.144088D+02  0.177637D+02 -0.162371D+02 -0.153614D+02 -0.159002D+02
      5  -0.931549D+01 -0.150638D+02  0.252218D+02  0.276118D+02  0.216392D+02
      6  -0.337126D+01 -0.650230D+01  0.107606D+02  0.698997D+01  0.924445D+01
               261           262           263           264           265 
      1  -0.620904D+01  0.199452D+03 -0.149291D+02 -0.770913D+01 -0.407374D+02
      2  -0.102535D+02 -0.104874D+03  0.868312D+01  0.491375D+01  0.224657D+02
      3   0.164625D+02 -0.945782D+02  0.624601D+01  0.279538D+01  0.182717D+02
      4   0.231670D+02 -0.552382D+01  0.152986D+02  0.878129D+00  0.206459D+02
      5  -0.644222D+02 -0.114443D+02  0.148657D+01  0.172765D+02  0.332386D+01
      6  -0.155180D+02  0.182544D+01 -0.866217D+00  0.595231D+00 -0.138411D+01
               266           267           268           269           270 
      1   0.194005D+02  0.203490D+01 -0.249805D+01  0.609090D+00  0.166663D+02
      2  -0.965081D+01 -0.936147D+00  0.244283D+01  0.786190D-01 -0.997938D+01
      3  -0.974965D+01 -0.109875D+01  0.552220D-01 -0.687709D+00 -0.668690D+01
      4  -0.107273D+02  0.717788D+00  0.108145D+01  0.159310D+01  0.143753D+01
      5   0.340991D+00 -0.244152D+01  0.236214D+02  0.521364D+00 -0.402617D+01
      6   0.111681D+01  0.149086D+01  0.636522D+00  0.181164D+01 -0.294157D+00
               271           272           273           274           275 
      1   0.652389D+01  0.616374D+01  0.108155D+02  0.160833D+02  0.579231D+01
      2  -0.207595D+01 -0.329937D+01 -0.563224D+01 -0.430088D+01  0.628192D+01
      3  -0.444794D+01 -0.286437D+01 -0.518325D+01 -0.117824D+02 -0.120742D+02
      4   0.462568D+01  0.137887D+01  0.275711D+01  0.291977D+02  0.415770D+02
      5   0.106837D+02  0.170614D+01 -0.367641D+01  0.129529D+02  0.240745D+02
      6   0.254785D+01  0.418726D-01 -0.174804D+01  0.465601D+01  0.839607D+01
               276           277           278           279 
      1   0.142189D+01  0.289020D+02  0.565372D+01 -0.156818D+01
      2   0.402249D+01 -0.131058D+02  0.723171D+00 -0.265638D+00
      3  -0.544438D+01 -0.157961D+02 -0.637690D+01  0.183382D+01
      4   0.242640D+02  0.212713D+02  0.257736D+02  0.256505D+02
      5   0.280482D+02  0.187987D+02  0.252079D+02  0.363733D+02
      6   0.931989D+01  0.642288D+01  0.898274D+01  0.101103D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 13:53:45 2021, MaxMem=  5637144576 cpu:           72248.2 elap:            9068.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50786 -19.50745 -19.45181 -10.57988 -10.52115
 Alpha  occ. eigenvalues --  -10.50517 -10.47473 -10.47067 -10.47036 -10.46544
 Alpha  occ. eigenvalues --  -10.46289 -10.46272 -10.46225 -10.46082 -10.45711
 Alpha  occ. eigenvalues --  -10.45457 -10.43877  -1.23474  -1.21075  -1.14411
 Alpha  occ. eigenvalues --   -1.03459  -0.98801  -0.94298  -0.92025  -0.89170
 Alpha  occ. eigenvalues --   -0.86693  -0.83951  -0.79160  -0.76684  -0.74701
 Alpha  occ. eigenvalues --   -0.73913  -0.72550  -0.67194  -0.66174  -0.65138
 Alpha  occ. eigenvalues --   -0.63167  -0.61009  -0.60198  -0.58395  -0.58197
 Alpha  occ. eigenvalues --   -0.57792  -0.56776  -0.55396  -0.54755  -0.54101
 Alpha  occ. eigenvalues --   -0.53472  -0.53291  -0.51259  -0.49715  -0.49204
 Alpha  occ. eigenvalues --   -0.48067  -0.47733  -0.46847  -0.45670  -0.44468
 Alpha  occ. eigenvalues --   -0.43822  -0.42946  -0.40761  -0.38883  -0.34172
 Alpha  occ. eigenvalues --   -0.31450
 Alpha virt. eigenvalues --    0.00893   0.03231   0.03849   0.04031   0.05018
 Alpha virt. eigenvalues --    0.06071   0.06570   0.07105   0.07715   0.08082
 Alpha virt. eigenvalues --    0.08657   0.08962   0.09725   0.10175   0.10378
 Alpha virt. eigenvalues --    0.12219   0.12534   0.13274   0.13356   0.13745
 Alpha virt. eigenvalues --    0.14669   0.15403   0.16002   0.16110   0.16970
 Alpha virt. eigenvalues --    0.17231   0.17967   0.18510   0.18844   0.19742
 Alpha virt. eigenvalues --    0.20008   0.20165   0.20561   0.21358   0.21734
 Alpha virt. eigenvalues --    0.22450   0.23497   0.23763   0.24015   0.24336
 Alpha virt. eigenvalues --    0.25030   0.25937   0.26386   0.26689   0.27018
 Alpha virt. eigenvalues --    0.27296   0.27549   0.28726   0.29319   0.29583
 Alpha virt. eigenvalues --    0.29814   0.30467   0.31116   0.31213   0.31595
 Alpha virt. eigenvalues --    0.31885   0.32423   0.32697   0.33116   0.33378
 Alpha virt. eigenvalues --    0.33757   0.34453   0.34746   0.35145   0.35514
 Alpha virt. eigenvalues --    0.35880   0.36017   0.36491   0.36769   0.37018
 Alpha virt. eigenvalues --    0.37513   0.37926   0.38611   0.38725   0.39120
 Alpha virt. eigenvalues --    0.39273   0.39544   0.40032   0.40248   0.40466
 Alpha virt. eigenvalues --    0.41018   0.41306   0.41607   0.42190   0.42222
 Alpha virt. eigenvalues --    0.42308   0.43157   0.43258   0.43631   0.43758
 Alpha virt. eigenvalues --    0.44308   0.44591   0.45254   0.45483   0.45628
 Alpha virt. eigenvalues --    0.45704   0.46198   0.46645   0.47050   0.47218
 Alpha virt. eigenvalues --    0.47903   0.47959   0.48113   0.48857   0.49424
 Alpha virt. eigenvalues --    0.49516   0.50101   0.50563   0.51497   0.51703
 Alpha virt. eigenvalues --    0.52004   0.52577   0.52871   0.52919   0.53286
 Alpha virt. eigenvalues --    0.54086   0.54464   0.55034   0.55145   0.55729
 Alpha virt. eigenvalues --    0.56082   0.56545   0.56962   0.57452   0.57652
 Alpha virt. eigenvalues --    0.58578   0.59028   0.59374   0.59602   0.60287
 Alpha virt. eigenvalues --    0.61164   0.61474   0.61768   0.62234   0.62386
 Alpha virt. eigenvalues --    0.63175   0.63698   0.64872   0.65166   0.65327
 Alpha virt. eigenvalues --    0.65640   0.66372   0.66663   0.67134   0.67440
 Alpha virt. eigenvalues --    0.68393   0.68790   0.69722   0.70241   0.70788
 Alpha virt. eigenvalues --    0.71024   0.71641   0.72127   0.72890   0.73555
 Alpha virt. eigenvalues --    0.73998   0.74260   0.74799   0.75218   0.76051
 Alpha virt. eigenvalues --    0.76183   0.77255   0.77426   0.77753   0.79009
 Alpha virt. eigenvalues --    0.79446   0.79965   0.80470   0.80861   0.81633
 Alpha virt. eigenvalues --    0.82009   0.82779   0.83162   0.83501   0.84728
 Alpha virt. eigenvalues --    0.85757   0.86491   0.87325   0.88022   0.88643
 Alpha virt. eigenvalues --    0.89114   0.89628   0.90987   0.91741   0.92468
 Alpha virt. eigenvalues --    0.93493   0.94104   0.94703   0.95292   0.96868
 Alpha virt. eigenvalues --    0.98550   0.99412   0.99965   1.00634   1.02381
 Alpha virt. eigenvalues --    1.02562   1.03676   1.04474   1.05204   1.05901
 Alpha virt. eigenvalues --    1.06428   1.06967   1.07358   1.08130   1.08432
 Alpha virt. eigenvalues --    1.08874   1.09603   1.10535   1.11406   1.11849
 Alpha virt. eigenvalues --    1.12243   1.13179   1.13669   1.15033   1.15977
 Alpha virt. eigenvalues --    1.16372   1.17347   1.19178   1.20871   1.21352
 Alpha virt. eigenvalues --    1.22385   1.22601   1.23663   1.24985   1.25305
 Alpha virt. eigenvalues --    1.25763   1.26200   1.26836   1.27663   1.29119
 Alpha virt. eigenvalues --    1.29925   1.31452   1.31977   1.33271   1.34886
 Alpha virt. eigenvalues --    1.35088   1.35849   1.36450   1.37620   1.39420
 Alpha virt. eigenvalues --    1.40532   1.41192   1.41841   1.43466   1.44059
 Alpha virt. eigenvalues --    1.44916   1.46888   1.48676   1.50564   1.50840
 Alpha virt. eigenvalues --    1.53530   1.54744   1.55514   1.56672   1.57593
 Alpha virt. eigenvalues --    1.58724   1.59508   1.61126   1.61539   1.63834
 Alpha virt. eigenvalues --    1.65567   1.65841   1.67846   1.68165   1.69594
 Alpha virt. eigenvalues --    1.69818   1.71496   1.72619   1.74783   1.75403
 Alpha virt. eigenvalues --    1.75606   1.76233   1.76549   1.77518   1.78783
 Alpha virt. eigenvalues --    1.80733   1.81499   1.81882   1.82105   1.84529
 Alpha virt. eigenvalues --    1.85317   1.87990   1.88316   1.89250   1.90060
 Alpha virt. eigenvalues --    1.91675   1.93081   1.93930   1.94885   1.95139
 Alpha virt. eigenvalues --    1.95898   1.96883   1.97033   1.98490   1.99459
 Alpha virt. eigenvalues --    2.00066   2.00522   2.03093   2.04118   2.05416
 Alpha virt. eigenvalues --    2.05698   2.06160   2.07043   2.09077   2.09708
 Alpha virt. eigenvalues --    2.10579   2.11159   2.11638   2.13147   2.13868
 Alpha virt. eigenvalues --    2.14226   2.14572   2.15208   2.16194   2.17171
 Alpha virt. eigenvalues --    2.17883   2.18350   2.19917   2.21875   2.22333
 Alpha virt. eigenvalues --    2.23250   2.25675   2.28250   2.28467   2.29730
 Alpha virt. eigenvalues --    2.30784   2.32075   2.33126   2.35592   2.36242
 Alpha virt. eigenvalues --    2.37929   2.39574   2.40341   2.40494   2.41131
 Alpha virt. eigenvalues --    2.43340   2.44802   2.45116   2.46790   2.48530
 Alpha virt. eigenvalues --    2.49872   2.51648   2.52612   2.53665   2.54801
 Alpha virt. eigenvalues --    2.55742   2.57808   2.58905   2.60652   2.62794
 Alpha virt. eigenvalues --    2.63090   2.63507   2.64938   2.65352   2.67422
 Alpha virt. eigenvalues --    2.71947   2.73047   2.75762   2.78059   2.79256
 Alpha virt. eigenvalues --    2.84556   2.86193   2.90167   2.92981   2.94392
 Alpha virt. eigenvalues --    2.97169   2.98578   2.99491   3.00009   3.01619
 Alpha virt. eigenvalues --    3.03514   3.03623   3.04299   3.05731   3.06419
 Alpha virt. eigenvalues --    3.10095   3.10152   3.12064   3.15435   3.16314
 Alpha virt. eigenvalues --    3.17529   3.18696   3.19976   3.21851   3.24507
 Alpha virt. eigenvalues --    3.25829   3.27634   3.27953   3.28545   3.33251
 Alpha virt. eigenvalues --    3.35234   3.40087   3.52832   3.53691   3.65508
 Alpha virt. eigenvalues --    3.66247   3.69515   3.86153   3.90044   4.03199
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.758379  -2.625386  -2.357705   0.108176  -0.561835   0.064692
     2  C   -2.625386  13.777211   0.631459  -1.286347   0.463412  -1.324105
     3  C   -2.357705   0.631459  11.347707  -2.216074  -0.139838  -0.439801
     4  C    0.108176  -1.286347  -2.216074  14.704903  -1.397506   0.905745
     5  C   -0.561835   0.463412  -0.139838  -1.397506  11.089046  -1.182259
     6  C    0.064692  -1.324105  -0.439801   0.905745  -1.182259   9.425737
     7  C   -0.519614  -0.688173  -0.593860   0.249758   0.086773   0.226423
     8  H   -0.988269   0.162993   0.153744  -2.098496   0.049452   0.251010
     9  H    0.193050  -0.044530   0.134147  -1.694672   0.008570  -0.726605
    10  H    0.161960  -1.248009   0.227447   0.080828  -1.056422  -0.453588
    11  C    0.058173   0.121230  -0.597312  -0.110498  -0.925089   0.056603
    12  C   -0.003006   0.001967  -0.104416   0.100236  -0.005128   0.003087
    13  C   -0.034960  -0.015558  -0.172512   0.395972  -0.090916   0.001281
    14  H    0.028030   0.013374   0.216682  -0.528383  -0.149350   0.015541
    15  H    0.000707   0.001822   0.021577  -0.074302   0.010272   0.000537
    16  H   -0.001004  -0.000464  -0.020932   0.013975  -0.023128   0.000078
    17  H    0.001195   0.000768   0.036176  -0.086434   0.067137  -0.004916
    18  O    0.002250   0.000852   0.050996  -0.049863   0.030832  -0.000540
    19  O    0.017792  -0.003930  -0.050575  -0.008057   0.039384  -0.001905
    20  H    0.002348   0.004467   0.016811  -0.074640  -0.027499   0.002437
    21  C    0.145654  -0.462215   0.126581   0.012912  -0.007356  -0.027591
    22  C   -0.926019   0.237496   0.071717   0.004003   0.020372   0.186914
    23  C    0.045177  -1.049047   0.038770   0.106634   0.016555  -0.784658
    24  O    0.049931   0.014544  -0.004332  -0.001371  -0.000755   0.001435
    25  C   -0.002752  -0.007025   0.000356  -0.000126   0.000114  -0.001849
    26  H   -0.307440   0.150921  -0.107706  -0.005410  -0.016977  -0.026503
    27  H   -0.005944   0.027984   0.006770   0.000165   0.000646   0.000247
    28  H    0.033663  -0.176323  -0.000985  -0.016994   0.040361  -0.022092
    29  H    0.001543  -0.002076  -0.000080   0.000027   0.000027   0.001041
    30  H   -0.001234  -0.001320   0.000026   0.000002  -0.000000  -0.000221
    31  H    0.001539  -0.002319  -0.000097   0.000028   0.000031   0.000813
               7          8          9         10         11         12
     1  C   -0.519614  -0.988269   0.193050   0.161960   0.058173  -0.003006
     2  C   -0.688173   0.162993  -0.044530  -1.248009   0.121230   0.001967
     3  C   -0.593860   0.153744   0.134147   0.227447  -0.597312  -0.104416
     4  C    0.249758  -2.098496  -1.694672   0.080828  -0.110498   0.100236
     5  C    0.086773   0.049452   0.008570  -1.056422  -0.925089  -0.005128
     6  C    0.226423   0.251010  -0.726605  -0.453588   0.056603   0.003087
     7  C    8.897732  -0.291796  -0.003862  -0.005847  -0.008147   0.001104
     8  H   -0.291796   4.229445   0.067364  -0.027551  -0.279914  -0.028548
     9  H   -0.003862   0.067364   4.092360  -0.995317  -0.482762  -0.043694
    10  H   -0.005847  -0.027551  -0.995317   4.180507   0.028257   0.000665
    11  C   -0.008147  -0.279914  -0.482762   0.028257   7.957083   0.451754
    12  C    0.001104  -0.028548  -0.043694   0.000665   0.451754   4.341560
    13  C   -0.002844  -0.081105  -0.037151   0.000064  -0.429489   0.002916
    14  H    0.000589   0.043119   0.080404  -0.002569  -0.027892  -0.236316
    15  H   -0.000421   0.015322   0.002370   0.000079   0.039679   0.254226
    16  H   -0.000109  -0.002923  -0.007703   0.000051   0.171756   0.262323
    17  H    0.000446   0.003596   0.031347  -0.000873   0.103716   0.182782
    18  O    0.000165   0.003421   0.005935  -0.000077  -0.090148  -0.026226
    19  O    0.002087   0.010467   0.000613  -0.000563  -0.021335   0.013448
    20  H    0.001462  -0.013480   0.002228   0.000731  -0.044491  -0.001828
    21  C   -0.338701   0.040093   0.000741  -0.021091   0.000259   0.000066
    22  C    0.388228  -0.000694  -0.000962  -0.013996  -0.000926  -0.000152
    23  C   -0.579002  -0.036428   0.014606  -0.203889  -0.000057  -0.000028
    24  O    0.005992  -0.000663   0.000024   0.003522   0.000030   0.000004
    25  C   -0.002852   0.000009  -0.000029   0.000720  -0.000006  -0.000000
    26  H   -0.986332  -0.257325   0.000521   0.000967   0.002873   0.000903
    27  H    0.065625  -0.000107  -0.000015   0.000419  -0.000060  -0.000000
    28  H    0.099280   0.003736  -0.000896  -0.143990   0.000019  -0.000015
    29  H    0.001150  -0.000001  -0.000001   0.000365  -0.000001  -0.000000
    30  H   -0.000362   0.000000   0.000000  -0.000027  -0.000000  -0.000000
    31  H    0.001155  -0.000001  -0.000001   0.000296  -0.000001   0.000000
              13         14         15         16         17         18
     1  C   -0.034960   0.028030   0.000707  -0.001004   0.001195   0.002250
     2  C   -0.015558   0.013374   0.001822  -0.000464   0.000768   0.000852
     3  C   -0.172512   0.216682   0.021577  -0.020932   0.036176   0.050996
     4  C    0.395972  -0.528383  -0.074302   0.013975  -0.086434  -0.049863
     5  C   -0.090916  -0.149350   0.010272  -0.023128   0.067137   0.030832
     6  C    0.001281   0.015541   0.000537   0.000078  -0.004916  -0.000540
     7  C   -0.002844   0.000589  -0.000421  -0.000109   0.000446   0.000165
     8  H   -0.081105   0.043119   0.015322  -0.002923   0.003596   0.003421
     9  H   -0.037151   0.080404   0.002370  -0.007703   0.031347   0.005935
    10  H    0.000064  -0.002569   0.000079   0.000051  -0.000873  -0.000077
    11  C   -0.429489  -0.027892   0.039679   0.171756   0.103716  -0.090148
    12  C    0.002916  -0.236316   0.254226   0.262323   0.182782  -0.026226
    13  C    6.089292  -0.159922   0.046981  -0.052357  -0.008705   0.289166
    14  H   -0.159922   1.436854   0.000481   0.015310  -0.027152  -0.006822
    15  H    0.046981   0.000481   0.729682  -0.048475   0.006437  -0.009542
    16  H   -0.052357   0.015310  -0.048475   0.687471  -0.073935  -0.017083
    17  H   -0.008705  -0.027152   0.006437  -0.073935   0.740965   0.013559
    18  O    0.289166  -0.006822  -0.009542  -0.017083   0.013559   7.965958
    19  O    0.026986  -0.014582  -0.007635   0.005896  -0.000175   0.046719
    20  H    0.110588   0.019824   0.000541  -0.000892  -0.000046  -0.012434
    21  C   -0.000309   0.000006  -0.000031  -0.000001   0.000002   0.000049
    22  C    0.000328  -0.000073   0.000007   0.000002  -0.000020  -0.000014
    23  C   -0.001018   0.000485   0.000001  -0.000014   0.000110   0.000078
    24  O   -0.000009   0.000002  -0.000002  -0.000000   0.000000   0.000000
    25  C    0.000001  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    26  H   -0.001567   0.000095  -0.000554  -0.000025   0.000112   0.000167
    27  H    0.000017  -0.000000  -0.000002   0.000000  -0.000001   0.000000
    28  H   -0.000053   0.000011  -0.000001  -0.000000   0.000001   0.000003
    29  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    30  H   -0.000000  -0.000000   0.000000   0.000000  -0.000000   0.000000
    31  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.017792   0.002348   0.145654  -0.926019   0.045177   0.049931
     2  C   -0.003930   0.004467  -0.462215   0.237496  -1.049047   0.014544
     3  C   -0.050575   0.016811   0.126581   0.071717   0.038770  -0.004332
     4  C   -0.008057  -0.074640   0.012912   0.004003   0.106634  -0.001371
     5  C    0.039384  -0.027499  -0.007356   0.020372   0.016555  -0.000755
     6  C   -0.001905   0.002437  -0.027591   0.186914  -0.784658   0.001435
     7  C    0.002087   0.001462  -0.338701   0.388228  -0.579002   0.005992
     8  H    0.010467  -0.013480   0.040093  -0.000694  -0.036428  -0.000663
     9  H    0.000613   0.002228   0.000741  -0.000962   0.014606   0.000024
    10  H   -0.000563   0.000731  -0.021091  -0.013996  -0.203889   0.003522
    11  C   -0.021335  -0.044491   0.000259  -0.000926  -0.000057   0.000030
    12  C    0.013448  -0.001828   0.000066  -0.000152  -0.000028   0.000004
    13  C    0.026986   0.110588  -0.000309   0.000328  -0.001018  -0.000009
    14  H   -0.014582   0.019824   0.000006  -0.000073   0.000485   0.000002
    15  H   -0.007635   0.000541  -0.000031   0.000007   0.000001  -0.000002
    16  H    0.005896  -0.000892  -0.000001   0.000002  -0.000014  -0.000000
    17  H   -0.000175  -0.000046   0.000002  -0.000020   0.000110   0.000000
    18  O    0.046719  -0.012434   0.000049  -0.000014   0.000078   0.000000
    19  O    8.001967   0.166949  -0.000080  -0.000149  -0.000230   0.000004
    20  H    0.166949   0.573195  -0.000024   0.000020   0.000341  -0.000004
    21  C   -0.000080  -0.000024   8.518409  -1.073295  -0.081547   0.026599
    22  C   -0.000149   0.000020  -1.073295   9.794660  -1.178805   0.053580
    23  C   -0.000230   0.000341  -0.081547  -1.178805   9.909386   0.171852
    24  O    0.000004  -0.000004   0.026599   0.053580   0.171852   8.339238
    25  C   -0.000001  -0.000000  -0.000807   0.078209  -0.029109   0.154023
    26  H    0.000045   0.000321  -0.623124   0.176783   0.130553   0.002220
    27  H   -0.000022  -0.000000  -0.164713  -0.514195   0.050328   0.099951
    28  H   -0.000039   0.000017   0.130450  -1.148561  -0.958315  -0.246265
    29  H    0.000000   0.000000   0.004856  -0.011296   0.014978   0.080822
    30  H    0.000000   0.000000   0.005415   0.044368   0.032181  -0.221086
    31  H   -0.000000  -0.000000   0.004715  -0.012384   0.016120   0.081604
              25         26         27         28         29         30
     1  C   -0.002752  -0.307440  -0.005944   0.033663   0.001543  -0.001234
     2  C   -0.007025   0.150921   0.027984  -0.176323  -0.002076  -0.001320
     3  C    0.000356  -0.107706   0.006770  -0.000985  -0.000080   0.000026
     4  C   -0.000126  -0.005410   0.000165  -0.016994   0.000027   0.000002
     5  C    0.000114  -0.016977   0.000646   0.040361   0.000027  -0.000000
     6  C   -0.001849  -0.026503   0.000247  -0.022092   0.001041  -0.000221
     7  C   -0.002852  -0.986332   0.065625   0.099280   0.001150  -0.000362
     8  H    0.000009  -0.257325  -0.000107   0.003736  -0.000001   0.000000
     9  H   -0.000029   0.000521  -0.000015  -0.000896  -0.000001   0.000000
    10  H    0.000720   0.000967   0.000419  -0.143990   0.000365  -0.000027
    11  C   -0.000006   0.002873  -0.000060   0.000019  -0.000001  -0.000000
    12  C   -0.000000   0.000903  -0.000000  -0.000015  -0.000000  -0.000000
    13  C    0.000001  -0.001567   0.000017  -0.000053   0.000000  -0.000000
    14  H   -0.000000   0.000095  -0.000000   0.000011  -0.000000  -0.000000
    15  H   -0.000000  -0.000554  -0.000002  -0.000001   0.000000   0.000000
    16  H    0.000000  -0.000025   0.000000  -0.000000   0.000000   0.000000
    17  H   -0.000000   0.000112  -0.000001   0.000001  -0.000000  -0.000000
    18  O   -0.000000   0.000167   0.000000   0.000003  -0.000000   0.000000
    19  O   -0.000001   0.000045  -0.000022  -0.000039   0.000000   0.000000
    20  H   -0.000000   0.000321  -0.000000   0.000017   0.000000   0.000000
    21  C   -0.000807  -0.623124  -0.164713   0.130450   0.004856   0.005415
    22  C    0.078209   0.176783  -0.514195  -1.148561  -0.011296   0.044368
    23  C   -0.029109   0.130553   0.050328  -0.958315   0.014978   0.032181
    24  O    0.154023   0.002220   0.099951  -0.246265   0.080822  -0.221086
    25  C    4.199244   0.000474  -0.017019  -0.036403   0.229466   0.482917
    26  H    0.000474   2.845945  -0.205621  -0.014972   0.000008  -0.000022
    27  H   -0.017019  -0.205621   1.457142   0.023088   0.001632  -0.001744
    28  H   -0.036403  -0.014972   0.023088   3.246839  -0.035308   0.049946
    29  H    0.229466   0.000008   0.001632  -0.035308   0.691585  -0.177276
    30  H    0.482917  -0.000022  -0.001744   0.049946  -0.177276   1.395319
    31  H    0.229520   0.000010   0.001640  -0.035345   0.026218  -0.177185
              31
     1  C    0.001539
     2  C   -0.002319
     3  C   -0.000097
     4  C    0.000028
     5  C    0.000031
     6  C    0.000813
     7  C    0.001155
     8  H   -0.000001
     9  H   -0.000001
    10  H    0.000296
    11  C   -0.000001
    12  C    0.000000
    13  C    0.000000
    14  H   -0.000000
    15  H    0.000000
    16  H    0.000000
    17  H   -0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H   -0.000000
    21  C    0.004715
    22  C   -0.012384
    23  C    0.016120
    24  O    0.081604
    25  C    0.229520
    26  H    0.000010
    27  H    0.001640
    28  H   -0.035345
    29  H    0.026218
    30  H   -0.177185
    31  H    0.690618
 Mulliken charges:
               1
     1  C   -0.339092
     2  C   -0.673671
     3  C   -0.274739
     4  C   -1.034192
     5  C   -0.338923
     6  C   -0.146989
     7  C   -0.006045
     8  H    0.073531
     9  H    0.403921
    10  H    0.486929
    11  C    0.026696
    12  C    0.832320
    13  C    0.124883
    14  H    0.282255
    15  H    0.010245
    16  H    0.092184
    17  H    0.013907
    18  O   -0.197399
    19  O   -0.223080
    20  H    0.273059
    21  C   -0.215923
    22  C   -0.175145
    23  C    0.353990
    24  O   -0.610891
    25  C    0.722926
    26  H    0.240660
    27  H    0.173789
    28  H    0.209143
    29  H    0.172322
    30  H   -0.429698
    31  H    0.173028
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.339092
     2  C   -0.673671
     3  C   -0.201208
     4  C   -1.034192
     5  C    0.064998
     6  C    0.339940
     7  C    0.234616
    11  C    0.308950
    12  C    0.948655
    13  C    0.124883
    18  O   -0.197399
    19  O    0.049979
    21  C   -0.042134
    22  C   -0.175145
    23  C    0.563133
    24  O   -0.610891
    25  C    0.638578
 Electronic spatial extent (au):  <R**2>=           5398.6598
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.2431    Y=              3.4398    Z=              0.8652  Tot=              6.3302
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -112.3009   YY=            -92.8582   ZZ=           -104.0043
   XY=             -5.4524   XZ=             -8.6869   YZ=             -4.6744
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.2464   YY=             10.1962   ZZ=             -0.9498
   XY=             -5.4524   XZ=             -8.6869   YZ=             -4.6744
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            213.8414  YYY=             -3.2744  ZZZ=             -5.1179  XYY=             11.4393
  XXY=             88.8660  XXZ=             18.1406  XZZ=              0.8823  YZZ=              1.6055
  YYZ=              1.2591  XYZ=              5.1265
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6069.6904 YYYY=           -743.6913 ZZZZ=           -458.4157 XXXY=            -73.1720
 XXXZ=           -171.3359 YYYX=            -17.2572 YYYZ=            -17.9541 ZZZX=             -9.2091
 ZZZY=              0.3214 XXYY=          -1110.6676 XXZZ=          -1085.3513 YYZZ=           -220.6225
 XXYZ=            -45.0112 YYXZ=              1.2609 ZZXY=             -3.2099
 N-N= 1.136479409844D+03 E-N=-4.054146287957D+03  KE= 7.579145369372D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 13:53:46 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.03985586D+00 1.24897840D+00 2.79794449D-01
 Polarizability= 2.69966724D+02-8.74665879D+00 1.63259685D+02
                -9.92468520D+00-7.70018486D+00 1.12641812D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.9188    4.9175       -5.5392   -5.5460
 2     -4.9188   -4.9175        4.0678    4.0673      -56.3805  -56.3827
 3      5.5392    5.5460       83.3753   83.3778       -4.0698   -4.0673
 4     -4.0678   -4.0673        0.0000    0.0000        5.5369    5.5460
 5    -26.9948  -26.9951       -5.5369   -5.5460        4.9181    4.9175
 6      4.0698    4.0673       -4.9181   -4.9175       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -14.7526  -14.7526      -16.6380  -16.6380
 2    -12.2018  -12.2018        0.0000    0.0000      -16.6380  -16.6380
 3    -12.2018  -12.2018      -14.7526  -14.7526       -0.0000    0.0000
 4    -14.7526  -14.7526       12.2018   12.2018     -169.1482 -169.1482
 5     16.6380   16.6380      250.1334  250.1334      -12.2018  -12.2018
 6    -80.9852  -80.9852      -16.6380  -16.6380       14.7526   14.7526
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.9978    0.0000      -19.5287  -19.6701       22.0925   22.1840
 2     20.3289   19.6701      -15.6517  -16.2690      224.6227  225.5309
 3    -22.3986  -22.1840     -333.4414 -333.5112       16.3381   16.2690
 4     15.2567   16.2690       -0.1882    0.0000      -22.3023  -22.1840
 5    107.5873  107.9802       22.2165   22.1840      -19.6592  -19.6701
 6    -16.2257  -16.2690       20.0943   19.6701        0.2486    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5378    0.0000       34.9421   34.3801        3.6670    4.0518
 2    -34.9620  -34.3801      -84.8871  -84.1926        6.0521    5.5697
 3     -4.4668   -4.0518       57.4509   58.0495       85.9375   84.1926
 4     83.8895   84.1926        0.7164    0.0000       -3.7706   -4.0518
 5    -64.0892  -63.6192        6.1508    4.0518       34.8310   34.3801
 6    -83.9838  -84.1926      -35.1960  -34.3801       -0.0701    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     34.5053   34.5074       42.9138   43.3826        7.9991    7.6762
 2    172.8265  173.3912      111.4167  110.6713        8.3348    7.6762
 3    172.6543  173.3912       44.1512   43.3826        0.0530   -0.5974
 4    -68.2426  -67.2887     -138.7853 -138.8838       18.9926   18.9052
 5     -8.9006   -8.2736       67.7496   67.9853      139.4703  138.8838
 6    -87.6055  -86.8905       10.8550    8.2736       68.6015   67.2887
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9330   -1.2631   -0.0005    0.0001    0.0007    3.6137
 Low frequencies ---   20.9639   30.9939   46.3843
 Diagonal vibrational polarizability:
      126.3919677     136.0127577      98.8231612
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     20.9332                30.9816                46.3837
 Red. masses --      4.6169                 7.2286                 5.1424
 Frc consts  --      0.0012                 0.0041                 0.0065
 IR Inten    --      2.4872                 5.1536                 0.2753
 RamAct Fr= 1--      3.5685                 2.2632                 2.9060
  Dep-P Fr= 1--      0.7483                 0.7458                 0.7463
  Dep-U Fr= 1--      0.8560                 0.8544                 0.8547
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0002
 Beta2  Fr= 1--      0.5091                 0.3223                 0.4140
 AlphaG Fr= 1--     -0.0010                 0.0055                 0.0021
 Gamma2 Fr= 1--      0.7230                -0.6702                 1.5056
 Delta2 Fr= 1--      0.8716                -0.6542                 0.5046
 Raman1 Fr= 1--      14.274                  9.053                 11.624
 ROA1   Fr= 1--      97.297                -85.275                160.688
 CID1   Fr= 1--       6.816                 -9.420                 13.824
 Raman2 Fr= 1--       6.109                  3.867                  4.968
 ROA2   Fr= 1--      10.379                -10.852                 32.099
 CID2   Fr= 1--       1.699                 -2.806                  6.462
 Raman3 Fr= 1--      12.219                  7.735                  9.935
 ROA3   Fr= 1--      97.297                -85.275                160.688
 CID3   Fr= 1--       7.963                -11.025                 16.173
 RC180  Fr= 1--       0.712                  0.709                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.11    -0.02   0.02   0.06    -0.02   0.03   0.09
     2   6     0.01   0.02   0.02    -0.01  -0.00  -0.00    -0.01   0.04   0.13
     3   6    -0.02   0.01  -0.14    -0.02   0.03   0.07    -0.02   0.04   0.07
     4   6     0.00   0.03  -0.07    -0.01   0.03   0.03    -0.01   0.04   0.07
     5   6     0.02   0.05   0.04    -0.01   0.01  -0.03     0.00   0.05   0.15
     6   6     0.02   0.04   0.09    -0.01  -0.00  -0.05     0.00   0.05   0.19
     7   6    -0.03  -0.02  -0.18    -0.03   0.02   0.11    -0.03   0.02   0.03
     8   1    -0.03   0.00  -0.23    -0.03   0.04   0.10    -0.03   0.03   0.02
     9   1     0.04   0.06   0.10    -0.00   0.01  -0.06     0.01   0.06   0.17
    10   1     0.04   0.05   0.17    -0.00  -0.02  -0.09     0.01   0.06   0.24
    11   6     0.00   0.05  -0.07    -0.01   0.02   0.01    -0.02   0.03  -0.06
    12   6     0.02   0.23  -0.04    -0.04   0.00  -0.01    -0.15   0.12  -0.08
    13   6     0.01  -0.08   0.06     0.07  -0.01  -0.02     0.09  -0.06  -0.05
    14   1    -0.00   0.01  -0.19    -0.02   0.01  -0.00    -0.01  -0.00  -0.16
    15   1     0.02   0.27   0.07    -0.06  -0.00  -0.01    -0.15   0.16   0.02
    16   1     0.02   0.24  -0.02    -0.04   0.00  -0.02    -0.15   0.09  -0.18
    17   1     0.03   0.30  -0.14    -0.06  -0.01   0.01    -0.23   0.18  -0.10
    18   8     0.09  -0.16   0.18     0.28  -0.35   0.06     0.07  -0.06  -0.10
    19   8    -0.08  -0.10   0.01    -0.09   0.36  -0.15     0.20  -0.14   0.02
    20   1    -0.12  -0.02  -0.09    -0.20   0.58  -0.21     0.20  -0.13   0.06
    21   6    -0.03  -0.03  -0.13    -0.03  -0.00   0.09    -0.04  -0.01  -0.03
    22   6    -0.01  -0.01  -0.01    -0.02  -0.02   0.02    -0.03  -0.01  -0.02
    23   6     0.01   0.01   0.06    -0.02  -0.02  -0.03    -0.01   0.01   0.08
    24   8    -0.01  -0.02   0.03    -0.03  -0.04  -0.01    -0.04  -0.04  -0.14
    25   6     0.02  -0.00   0.17    -0.02  -0.06  -0.10    -0.03  -0.06  -0.23
    26   1    -0.05  -0.03  -0.27    -0.03   0.03   0.16    -0.04   0.02   0.02
    27   1    -0.04  -0.04  -0.19    -0.04   0.00   0.12    -0.05  -0.02  -0.09
    28   1     0.03   0.02   0.16    -0.01  -0.03  -0.08    -0.00   0.01   0.09
    29   1     0.06   0.09   0.20    -0.04  -0.11  -0.11    -0.14  -0.06  -0.19
    30   1     0.02  -0.01   0.19    -0.02  -0.07  -0.11    -0.04  -0.09  -0.35
    31   1    -0.01  -0.07   0.23     0.01  -0.01  -0.14     0.09  -0.06  -0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --     90.6615               121.1625               144.1336
 Red. masses --      3.9827                 4.3007                 4.3281
 Frc consts  --      0.0193                 0.0372                 0.0530
 IR Inten    --      3.4036                 0.0874                 0.1758
 RamAct Fr= 1--      1.0471                 0.4362                 0.8106
  Dep-P Fr= 1--      0.7119                 0.4288                 0.6923
  Dep-U Fr= 1--      0.8317                 0.6002                 0.8182
 Alpha2 Fr= 1--      0.0007                 0.0029                 0.0008
 Beta2  Fr= 1--      0.1451                 0.0436                 0.1105
 AlphaG Fr= 1--     -0.0017                -0.0078                -0.0055
 Gamma2 Fr= 1--     -0.6812                -0.0346                 1.6510
 Delta2 Fr= 1--     -0.3968                 0.2210                 1.1592
 Raman1 Fr= 1--       4.188                  1.745                  3.243
 ROA1   Fr= 1--     -78.093                  3.749                195.589
 CID1   Fr= 1--     -18.645                  2.148                 60.320
 Raman2 Fr= 1--       1.742                  0.524                  1.326
 ROA2   Fr= 1--     -13.174                 -2.599                 30.350
 CID2   Fr= 1--      -7.564                 -4.963                 22.880
 Raman3 Fr= 1--       3.484                  1.047                  2.653
 ROA3   Fr= 1--     -78.093                  3.749                195.589
 CID3   Fr= 1--     -22.418                  3.580                 73.726
 RC180  Fr= 1--       0.663                  0.200                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.04   0.08  -0.10    -0.01  -0.09  -0.10
     2   6    -0.02   0.00  -0.09    -0.02   0.07  -0.06    -0.03  -0.09  -0.11
     3   6    -0.01   0.05   0.12    -0.03   0.10  -0.10    -0.01  -0.07  -0.00
     4   6    -0.01   0.05   0.09    -0.02   0.11  -0.03     0.01  -0.04   0.10
     5   6    -0.02   0.02  -0.03    -0.02   0.11  -0.01     0.00  -0.05   0.07
     6   6    -0.02  -0.00  -0.11    -0.01   0.09  -0.04    -0.01  -0.07  -0.05
     7   6    -0.04   0.01  -0.00    -0.10   0.05  -0.09     0.01  -0.08  -0.13
     8   1    -0.01   0.07   0.20    -0.04   0.10  -0.12    -0.02  -0.07  -0.01
     9   1    -0.01   0.02  -0.07    -0.00   0.12   0.02     0.01  -0.04   0.14
    10   1    -0.02  -0.02  -0.20    -0.00   0.09  -0.02    -0.00  -0.08  -0.07
    11   6    -0.01   0.02   0.06    -0.00   0.00   0.05     0.00   0.03   0.06
    12   6    -0.07  -0.01   0.04     0.12  -0.19   0.06    -0.13   0.14   0.03
    13   6     0.08  -0.01   0.02     0.06  -0.03   0.03     0.05   0.04   0.03
    14   1    -0.03   0.01   0.05    -0.12  -0.01   0.15     0.07   0.03  -0.01
    15   1    -0.04   0.00   0.05     0.28  -0.18  -0.06    -0.19   0.15   0.14
    16   1    -0.07  -0.07  -0.02     0.12  -0.34   0.14    -0.13   0.18  -0.07
    17   1    -0.14   0.01   0.06     0.07  -0.20   0.11    -0.17   0.17   0.02
    18   8     0.08  -0.03  -0.05     0.06  -0.05  -0.00     0.04   0.02  -0.03
    19   8     0.17  -0.01   0.07     0.12  -0.07   0.06     0.12   0.07   0.06
    20   1     0.16   0.01   0.13     0.11  -0.04   0.09     0.12   0.06   0.11
    21   6    -0.05  -0.02  -0.09    -0.09   0.02   0.01     0.02  -0.04  -0.04
    22   6    -0.04  -0.03  -0.12    -0.05   0.01   0.06     0.01  -0.01   0.03
    23   6    -0.03  -0.02  -0.15    -0.01   0.03  -0.00    -0.03  -0.05  -0.09
    24   8    -0.04  -0.04  -0.11    -0.05  -0.05   0.18     0.03   0.10   0.23
    25   6     0.00   0.02   0.26     0.01  -0.15  -0.07    -0.08   0.10  -0.09
    26   1    -0.05   0.03   0.06    -0.14   0.07  -0.13     0.04  -0.10  -0.17
    27   1    -0.05  -0.02  -0.09    -0.12   0.01   0.04     0.04  -0.02  -0.01
    28   1    -0.02  -0.04  -0.20     0.04   0.02   0.03    -0.06  -0.04  -0.07
    29   1     0.19   0.21   0.29     0.01  -0.33  -0.15    -0.09  -0.24  -0.23
    30   1     0.01   0.03   0.40    -0.01  -0.22  -0.04    -0.05   0.20   0.05
    31   1    -0.16  -0.15   0.38     0.09   0.01  -0.21    -0.19   0.33  -0.33
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.2079               188.3465               218.4087
 Red. masses --      3.3711                 3.4736                 1.0807
 Frc consts  --      0.0659                 0.0726                 0.0304
 IR Inten    --      0.5494                 1.9241                 0.6819
 RamAct Fr= 1--      3.8914                 1.7865                 0.2282
  Dep-P Fr= 1--      0.3320                 0.3222                 0.5749
  Dep-U Fr= 1--      0.4985                 0.4874                 0.7301
 Alpha2 Fr= 1--      0.0362                 0.0171                 0.0008
 Beta2  Fr= 1--      0.3233                 0.1451                 0.0278
 AlphaG Fr= 1--      0.0111                 0.0129                 0.0007
 Gamma2 Fr= 1--      1.7468                -2.8643                -0.0241
 Delta2 Fr= 1--     -0.7951                -0.1067                -0.0317
 Raman1 Fr= 1--      15.566                  7.146                  0.913
 ROA1   Fr= 1--     142.246               -278.386                 -3.326
 CID1   Fr= 1--       9.139                -38.957                 -3.644
 Raman2 Fr= 1--       3.880                  1.741                  0.333
 ROA2   Fr= 1--      48.283                -67.889                 -0.324
 CID2   Fr= 1--      12.445                -38.984                 -0.974
 Raman3 Fr= 1--       7.759                  3.483                  0.666
 ROA3   Fr= 1--     142.246               -278.386                 -3.326
 CID3   Fr= 1--      18.333                -79.928                 -4.991
 RC180  Fr= 1--      -0.003                 -0.025                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.05    -0.02  -0.04  -0.07    -0.00   0.01   0.01
     2   6     0.02   0.04  -0.09    -0.02  -0.04  -0.07     0.00   0.00   0.00
     3   6     0.02  -0.00  -0.02    -0.03  -0.02  -0.15    -0.00   0.01   0.01
     4   6    -0.02  -0.02   0.06     0.02   0.02  -0.04     0.00   0.01   0.00
     5   6    -0.02   0.01   0.16     0.04   0.05   0.16     0.01   0.01  -0.00
     6   6    -0.02   0.04   0.05     0.03   0.01   0.10     0.01   0.01   0.00
     7   6     0.04   0.06   0.02    -0.02  -0.01   0.12    -0.01   0.00  -0.00
     8   1     0.07  -0.03  -0.06    -0.06  -0.02  -0.24    -0.00   0.01   0.01
     9   1    -0.03   0.02   0.28     0.06   0.09   0.34     0.01   0.01  -0.00
    10   1    -0.07   0.07   0.09     0.07   0.01   0.21     0.01   0.00  -0.00
    11   6    -0.04  -0.04   0.01     0.03   0.02  -0.03     0.00   0.02  -0.01
    12   6    -0.16  -0.00  -0.02     0.11  -0.01  -0.01    -0.02  -0.03  -0.03
    13   6    -0.05  -0.03  -0.00     0.03   0.01  -0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.04  -0.03     0.00   0.02  -0.01     0.02   0.03   0.01
    15   1    -0.22  -0.01   0.02     0.16  -0.00  -0.05    -0.51  -0.28  -0.25
    16   1    -0.16   0.03  -0.12     0.12  -0.03   0.07    -0.01   0.51   0.06
    17   1    -0.19  -0.00   0.00     0.15  -0.01  -0.02     0.42  -0.37   0.10
    18   8    -0.06  -0.02  -0.00     0.03   0.01   0.01     0.02   0.00   0.03
    19   8    -0.08  -0.01  -0.02     0.02  -0.02  -0.01     0.00  -0.03   0.00
    20   1    -0.08  -0.02  -0.03     0.02  -0.02  -0.03    -0.00  -0.01  -0.02
    21   6     0.04   0.07   0.05    -0.01  -0.01   0.20    -0.01  -0.00  -0.01
    22   6     0.04   0.05  -0.05    -0.03  -0.04  -0.03    -0.00  -0.00  -0.00
    23   6     0.03   0.04  -0.17    -0.04  -0.07  -0.15    -0.00  -0.00  -0.01
    24   8     0.04  -0.03   0.04    -0.03   0.01  -0.08    -0.00   0.00   0.01
    25   6     0.20  -0.14   0.02    -0.13   0.09   0.03    -0.01   0.01  -0.00
    26   1     0.05   0.07   0.08    -0.02   0.01   0.24    -0.01   0.00  -0.01
    27   1     0.05   0.09   0.15    -0.00   0.03   0.39    -0.01  -0.01  -0.02
    28   1     0.04   0.02  -0.24    -0.05  -0.09  -0.25     0.00  -0.00  -0.01
    29   1     0.43  -0.24  -0.09    -0.06   0.09   0.01     0.01  -0.03  -0.02
    30   1     0.18  -0.24   0.27    -0.09   0.21   0.14    -0.01   0.02   0.04
    31   1     0.12  -0.02  -0.11    -0.30   0.06   0.03    -0.05   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    231.0049               259.1101               286.9122
 Red. masses --      1.4984                 2.4925                 2.7928
 Frc consts  --      0.0471                 0.0986                 0.1355
 IR Inten    --      2.2999                 8.1307                 0.1718
 RamAct Fr= 1--      1.3343                 0.6295                 0.9023
  Dep-P Fr= 1--      0.6372                 0.7492                 0.5261
  Dep-U Fr= 1--      0.7784                 0.8566                 0.6894
 Alpha2 Fr= 1--      0.0027                 0.0000                 0.0039
 Beta2  Fr= 1--      0.1731                 0.0899                 0.1037
 AlphaG Fr= 1--      0.0037                 0.0002                -0.0060
 Gamma2 Fr= 1--      0.5624                -0.6535                 0.4294
 Delta2 Fr= 1--      0.0517                 0.3025                -0.0132
 Raman1 Fr= 1--       5.337                  2.518                  3.609
 ROA1   Fr= 1--      55.641                -53.060                 40.800
 CID1   Fr= 1--      10.425                -21.073                 11.304
 Raman2 Fr= 1--       2.077                  1.078                  1.244
 ROA2   Fr= 1--      13.083                -18.105                 10.411
 CID2   Fr= 1--       6.298                -16.788                  8.367
 Raman3 Fr= 1--       4.154                  2.157                  2.488
 ROA3   Fr= 1--      55.641                -53.060                 40.800
 CID3   Fr= 1--      13.393                -24.600                 16.396
 RC180  Fr= 1--       0.557                  0.713                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08    -0.02  -0.02   0.00     0.00   0.02   0.08
     2   6     0.01   0.01   0.04    -0.04   0.01   0.05    -0.02   0.00  -0.04
     3   6     0.01   0.03   0.08    -0.02  -0.07  -0.05     0.01   0.01   0.14
     4   6     0.01   0.02  -0.00    -0.03  -0.08  -0.04     0.01  -0.02   0.02
     5   6     0.02   0.02  -0.00    -0.07  -0.06  -0.03    -0.02   0.00   0.08
     6   6     0.02   0.01   0.04    -0.07  -0.01   0.02    -0.02   0.02   0.05
     7   6    -0.01  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01   0.01
     8   1     0.00   0.04   0.11    -0.00  -0.08  -0.07     0.02   0.02   0.20
     9   1     0.03   0.02  -0.04    -0.10  -0.09  -0.05    -0.03  -0.01   0.11
    10   1     0.04   0.01   0.04    -0.09   0.00   0.03    -0.03   0.02   0.07
    11   6     0.01   0.00  -0.03    -0.01  -0.04   0.02     0.02  -0.04  -0.04
    12   6     0.04  -0.03  -0.03     0.14   0.12   0.09     0.17   0.07   0.02
    13   6    -0.01  -0.01  -0.02     0.00  -0.02   0.01    -0.00  -0.04  -0.04
    14   1    -0.01  -0.00  -0.02     0.01  -0.04  -0.02     0.01  -0.05  -0.07
    15   1     0.14   0.01  -0.02     0.03   0.09   0.11     0.15   0.07   0.04
    16   1     0.04  -0.14  -0.02     0.15   0.32   0.26     0.18   0.17   0.20
    17   1    -0.03   0.02  -0.04     0.37   0.10  -0.04     0.34   0.08  -0.10
    18   8    -0.01   0.01   0.02    -0.01  -0.03  -0.09    -0.03  -0.01  -0.06
    19   8    -0.05  -0.03  -0.04     0.08   0.06   0.03    -0.03  -0.01  -0.07
    20   1    -0.05  -0.03  -0.07     0.09   0.04   0.12    -0.02  -0.05  -0.08
    21   6    -0.01  -0.03  -0.07    -0.00   0.04   0.01    -0.02  -0.00  -0.09
    22   6    -0.00  -0.02  -0.04    -0.03   0.05  -0.00    -0.03   0.01  -0.06
    23   6     0.00  -0.02  -0.02    -0.04   0.05   0.05    -0.03  -0.01  -0.15
    24   8     0.00   0.00   0.03    -0.03   0.00  -0.06    -0.02   0.02   0.14
    25   6    -0.04   0.02  -0.01     0.08  -0.06   0.00    -0.00  -0.02   0.01
    26   1    -0.02  -0.00  -0.01     0.03  -0.01   0.01    -0.01   0.01   0.03
    27   1    -0.02  -0.05  -0.14     0.03   0.06   0.01    -0.01  -0.00  -0.13
    28   1     0.01  -0.03  -0.06    -0.06   0.06   0.03    -0.03  -0.01  -0.16
    29   1     0.29  -0.30  -0.25     0.39  -0.20  -0.15    -0.30   0.13   0.16
    30   1     0.01   0.15   0.51     0.07  -0.09   0.38    -0.04  -0.12  -0.40
    31   1    -0.45   0.24  -0.29    -0.15   0.07  -0.16     0.35  -0.10   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.7930               358.9141               400.9435
 Red. masses --      4.5733                 5.4237                 5.1285
 Frc consts  --      0.2966                 0.4117                 0.4857
 IR Inten    --      4.6755                 4.2088                 0.5973
 RamAct Fr= 1--      1.0492                10.1721                 0.7487
  Dep-P Fr= 1--      0.1334                 0.1584                 0.4080
  Dep-U Fr= 1--      0.2354                 0.2735                 0.5795
 Alpha2 Fr= 1--      0.0169                 0.1539                 0.0054
 Beta2  Fr= 1--      0.0412                 0.4637                 0.0723
 AlphaG Fr= 1--      0.0376                -0.0553                 0.0285
 Gamma2 Fr= 1--      0.8530                -2.3460                -1.3777
 Delta2 Fr= 1--      0.1215                -0.3775                -0.3385
 Raman1 Fr= 1--       4.197                 40.689                  2.995
 ROA1   Fr= 1--      85.777               -237.299               -143.093
 CID1   Fr= 1--      20.439                 -5.832                -47.780
 Raman2 Fr= 1--       0.494                  5.564                  0.868
 ROA2   Fr= 1--      19.500                -53.285                -30.357
 CID2   Fr= 1--      39.479                 -9.577                -34.983
 Raman3 Fr= 1--       0.988                 11.128                  1.736
 ROA3   Fr= 1--      85.777               -237.299               -143.093
 CID3   Fr= 1--      86.829                -21.324                -82.449
 RC180  Fr= 1--      -0.529                 -0.453                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12   0.05    -0.09  -0.07   0.06    -0.05  -0.06  -0.11
     2   6    -0.12  -0.10   0.03    -0.01  -0.13   0.04    -0.03  -0.07  -0.08
     3   6    -0.10  -0.08   0.03    -0.15   0.10  -0.02    -0.04   0.07   0.18
     4   6    -0.01  -0.02  -0.01    -0.11   0.15  -0.08     0.01   0.11   0.20
     5   6    -0.03  -0.03   0.01     0.04   0.10  -0.04     0.03   0.08   0.11
     6   6    -0.05  -0.08   0.03     0.07  -0.07   0.06     0.02  -0.04  -0.12
     7   6     0.00  -0.07   0.02     0.00  -0.04   0.04    -0.03  -0.06  -0.19
     8   1    -0.17  -0.04   0.03    -0.25   0.16  -0.02    -0.10   0.12   0.26
     9   1    -0.03  -0.04   0.01     0.18   0.18  -0.07     0.07   0.11   0.12
    10   1     0.01  -0.11   0.05     0.17  -0.12   0.10     0.07  -0.09  -0.22
    11   6     0.04   0.12  -0.07    -0.18   0.12  -0.01     0.01  -0.01   0.02
    12   6     0.03  -0.07  -0.12     0.02  -0.01   0.04     0.07   0.03   0.06
    13   6     0.08   0.12  -0.02    -0.14   0.01   0.01     0.03  -0.05  -0.06
    14   1     0.09   0.16  -0.01    -0.26   0.11   0.05    -0.05  -0.04   0.01
    15   1     0.21  -0.05  -0.23     0.08  -0.05  -0.13     0.07   0.04   0.08
    16   1     0.03  -0.29  -0.15     0.03  -0.03   0.22     0.08   0.10   0.19
    17   1    -0.12  -0.08  -0.02     0.12  -0.09   0.07     0.19   0.04  -0.02
    18   8     0.14   0.11   0.17    -0.09  -0.15  -0.10     0.01   0.00  -0.07
    19   8     0.03  -0.05  -0.03     0.03   0.01   0.10    -0.10  -0.09  -0.15
    20   1     0.01  -0.00  -0.15    -0.03   0.13   0.19    -0.07  -0.15  -0.27
    21   6     0.00   0.06  -0.03     0.04  -0.04  -0.03     0.00   0.03   0.16
    22   6    -0.05   0.10  -0.03     0.12  -0.05  -0.04     0.02   0.03   0.17
    23   6    -0.13   0.03  -0.02     0.01  -0.12  -0.03    -0.02  -0.01   0.12
    24   8    -0.05   0.10   0.00     0.16   0.08   0.01     0.01   0.03  -0.13
    25   6     0.17  -0.04  -0.00     0.18   0.10  -0.03     0.07   0.02  -0.02
    26   1     0.11  -0.12   0.04     0.08  -0.08   0.06    -0.02  -0.11  -0.35
    27   1     0.07   0.11  -0.05    -0.02  -0.08  -0.03     0.00   0.03   0.21
    28   1    -0.21   0.08  -0.03    -0.05  -0.09  -0.04    -0.05  -0.01   0.07
    29   1     0.28   0.01  -0.01     0.15   0.10  -0.01     0.22   0.05  -0.05
    30   1     0.11  -0.27   0.00     0.17   0.06  -0.08     0.06  -0.02   0.12
    31   1     0.33   0.00  -0.01     0.25   0.10  -0.02    -0.00   0.01  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.5702               465.6080               481.8818
 Red. masses --      3.2747                 4.0224                 4.9630
 Frc consts  --      0.3316                 0.5138                 0.6790
 IR Inten    --      0.3533                21.5460                 4.0466
 RamAct Fr= 1--      3.7922                 0.6416                 3.0859
  Dep-P Fr= 1--      0.7477                 0.5635                 0.1809
  Dep-U Fr= 1--      0.8557                 0.7208                 0.3063
 Alpha2 Fr= 1--      0.0001                 0.0023                 0.0441
 Beta2  Fr= 1--      0.5408                 0.0771                 0.1575
 AlphaG Fr= 1--      0.0068                 0.0195                 0.0024
 Gamma2 Fr= 1--      0.3564                -0.5479                 0.6626
 Delta2 Fr= 1--     -0.2791                -0.0156                -0.0362
 Raman1 Fr= 1--      15.169                  2.566                 12.344
 ROA1   Fr= 1--      25.283                -53.100                 62.455
 CID1   Fr= 1--       1.667                -20.690                  5.060
 Raman2 Fr= 1--       6.490                  0.925                  1.891
 ROA2   Fr= 1--      10.786                -13.025                 16.192
 CID2   Fr= 1--       1.662                -14.082                  8.565
 Raman3 Fr= 1--      12.979                  1.850                  3.781
 ROA3   Fr= 1--      25.283                -53.100                 62.455
 CID3   Fr= 1--       1.948                -28.703                 16.518
 RC180  Fr= 1--       0.711                  0.442                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.06    -0.00   0.08  -0.01    -0.06   0.09  -0.01
     2   6     0.01   0.02   0.05     0.03   0.05  -0.06    -0.04   0.08   0.05
     3   6     0.02   0.01   0.13    -0.03  -0.06   0.07    -0.06   0.00  -0.06
     4   6    -0.01  -0.03  -0.06    -0.10  -0.10   0.06    -0.07  -0.03   0.00
     5   6    -0.02  -0.05  -0.17    -0.10  -0.12   0.12    -0.15  -0.01  -0.07
     6   6     0.01   0.04   0.21    -0.11  -0.02  -0.06    -0.13   0.08   0.06
     7   6    -0.01  -0.03  -0.20     0.01   0.09  -0.05    -0.07   0.08   0.01
     8   1     0.05   0.04   0.35     0.09  -0.13   0.05    -0.02  -0.02  -0.07
     9   1    -0.04  -0.08  -0.33    -0.13  -0.13   0.20    -0.22  -0.07  -0.14
    10   1     0.01   0.09   0.41    -0.26   0.05  -0.11    -0.21   0.12   0.06
    11   6    -0.01   0.01  -0.02    -0.11   0.16  -0.09     0.01  -0.09   0.07
    12   6    -0.01  -0.01  -0.03     0.09   0.00  -0.10    -0.03   0.01   0.12
    13   6    -0.02   0.01   0.02    -0.08   0.13  -0.05     0.14  -0.01  -0.03
    14   1     0.01   0.02  -0.01     0.04   0.23  -0.03    -0.05  -0.10   0.07
    15   1    -0.01  -0.02  -0.04     0.29  -0.00  -0.30    -0.08   0.05   0.26
    16   1    -0.01  -0.03  -0.05     0.10  -0.15   0.13    -0.03   0.09   0.10
    17   1    -0.04  -0.02  -0.00     0.14  -0.05  -0.07    -0.01   0.09   0.01
    18   8    -0.00  -0.01   0.02     0.03  -0.03   0.04     0.10   0.12   0.06
    19   8     0.03   0.03   0.04     0.06  -0.04   0.05    -0.01  -0.03  -0.14
    20   1     0.03   0.03   0.09    -0.11   0.29  -0.05     0.11  -0.25  -0.21
    21   6     0.01   0.03   0.16     0.02   0.02   0.01    -0.04  -0.12   0.02
    22   6     0.00   0.01   0.05     0.10  -0.03   0.06     0.08  -0.16  -0.02
    23   6    -0.00  -0.02  -0.14     0.08  -0.00   0.03     0.00  -0.17  -0.01
    24   8    -0.00  -0.02  -0.02     0.11  -0.11  -0.02     0.16   0.02   0.01
    25   6    -0.02  -0.01   0.00    -0.06   0.01   0.00     0.12   0.11  -0.03
    26   1    -0.03  -0.06  -0.38    -0.01   0.09  -0.11    -0.16   0.14   0.04
    27   1     0.02   0.05   0.27    -0.06  -0.04  -0.01    -0.22  -0.24   0.09
    28   1    -0.01  -0.06  -0.35     0.09  -0.01   0.02     0.09  -0.21  -0.02
    29   1    -0.04   0.03   0.03    -0.16  -0.03   0.01     0.08   0.09  -0.02
    30   1    -0.02   0.00  -0.03     0.00   0.21  -0.01     0.13   0.13  -0.06
    31   1    -0.01  -0.04   0.04    -0.20  -0.04   0.01     0.12   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    486.1414               509.7037               533.8700
 Red. masses --      2.5453                 3.9595                 3.2844
 Frc consts  --      0.3544                 0.6061                 0.5515
 IR Inten    --     15.4270                13.0543                 9.8064
 RamAct Fr= 1--      0.1215                 2.9388                 2.9661
  Dep-P Fr= 1--      0.7484                 0.7192                 0.6776
  Dep-U Fr= 1--      0.8561                 0.8367                 0.8078
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0038
 Beta2  Fr= 1--      0.0173                 0.4098                 0.3994
 AlphaG Fr= 1--     -0.0002                 0.0157                 0.0397
 Gamma2 Fr= 1--     -0.0986                 0.3566                -1.4131
 Delta2 Fr= 1--      0.0493                 0.8817                -0.1440
 Raman1 Fr= 1--       0.486                 11.755                 11.865
 ROA1   Fr= 1--      -7.885                 62.445               -140.264
 CID1   Fr= 1--     -16.222                  5.312                -11.822
 Raman2 Fr= 1--       0.208                  4.918                  4.792
 ROA2   Fr= 1--      -2.760                  1.503                -32.762
 CID2   Fr= 1--     -13.264                  0.306                 -6.836
 Raman3 Fr= 1--       0.416                  9.835                  9.585
 ROA3   Fr= 1--      -7.885                 62.445               -140.264
 CID3   Fr= 1--     -18.949                  6.349                -14.634
 RC180  Fr= 1--       0.712                  0.673                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.21    -0.03  -0.04  -0.02     0.03  -0.08   0.02
     2   6     0.01   0.03   0.18     0.04  -0.04   0.07    -0.07  -0.03   0.01
     3   6    -0.01  -0.02  -0.11    -0.05  -0.01  -0.06    -0.01   0.08  -0.01
     4   6     0.01   0.01   0.03    -0.04   0.02   0.03    -0.04   0.09  -0.02
     5   6     0.01   0.01   0.05     0.03  -0.05  -0.09    -0.13   0.14   0.00
     6   6     0.00  -0.02  -0.10     0.05  -0.07   0.08    -0.12  -0.00  -0.00
     7   6    -0.01  -0.02  -0.10     0.04   0.02   0.02     0.16  -0.06  -0.01
     8   1    -0.03  -0.08  -0.44    -0.07  -0.01  -0.08    -0.11   0.13   0.01
     9   1     0.01   0.00  -0.03     0.09  -0.03  -0.20    -0.11   0.15   0.00
    10   1    -0.01  -0.08  -0.41     0.06  -0.08   0.09    -0.06  -0.04  -0.02
    11   6     0.00  -0.00   0.00    -0.05   0.09   0.12    -0.03  -0.04  -0.03
    12   6    -0.00  -0.00   0.01    -0.05   0.01   0.20     0.00  -0.00  -0.03
    13   6     0.00  -0.00   0.00     0.02   0.10  -0.06     0.04  -0.05   0.01
    14   1    -0.00  -0.01   0.00    -0.03   0.14   0.25    -0.13  -0.09  -0.09
    15   1     0.00   0.00   0.01    -0.02   0.02   0.20     0.00   0.00  -0.02
    16   1    -0.00   0.00   0.00    -0.05   0.01   0.24     0.01   0.02   0.01
    17   1    -0.00   0.00   0.00    -0.04   0.03   0.18     0.04   0.00  -0.06
    18   8    -0.00   0.00  -0.00     0.08   0.00  -0.06     0.00   0.03   0.05
    19   8    -0.00  -0.01   0.00    -0.05  -0.15  -0.10     0.00   0.07  -0.03
    20   1    -0.03   0.06  -0.02    -0.19   0.13  -0.44     0.30  -0.51   0.25
    21   6     0.00   0.01   0.05     0.03   0.14  -0.03     0.16   0.02  -0.01
    22   6     0.00   0.02   0.07     0.04   0.08  -0.09     0.06   0.04   0.00
    23   6    -0.01  -0.02  -0.12     0.04   0.09  -0.05    -0.03   0.02   0.00
    24   8    -0.01   0.00  -0.01     0.02  -0.10   0.04     0.06  -0.12   0.01
    25   6    -0.00  -0.00   0.00    -0.10  -0.06   0.02    -0.09  -0.07   0.02
    26   1    -0.03  -0.09  -0.45     0.16  -0.02   0.10     0.26  -0.12  -0.03
    27   1    -0.00  -0.01  -0.12     0.09   0.19   0.03     0.25   0.07  -0.05
    28   1    -0.04  -0.08  -0.49    -0.07   0.15  -0.03    -0.11   0.05  -0.02
    29   1    -0.01   0.03   0.02    -0.22  -0.09   0.04    -0.20  -0.10   0.04
    30   1    -0.01  -0.02  -0.04    -0.06   0.10  -0.03    -0.04   0.12  -0.02
    31   1     0.02  -0.02   0.03    -0.18  -0.08   0.03    -0.21  -0.10   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    540.3178               578.2447               604.1917
 Red. masses --      2.9527                 1.7093                 2.7736
 Frc consts  --      0.5079                 0.3367                 0.5965
 IR Inten    --     11.6925                42.3043                 2.1626
 RamAct Fr= 1--     12.9132                 1.4723                 1.9130
  Dep-P Fr= 1--      0.2756                 0.2195                 0.5306
  Dep-U Fr= 1--      0.4321                 0.3599                 0.6933
 Alpha2 Fr= 1--      0.1423                 0.0190                 0.0081
 Beta2  Fr= 1--      0.9300                 0.0883                 0.2211
 AlphaG Fr= 1--     -0.3159                 0.1528                -0.0200
 Gamma2 Fr= 1--      2.3746                 0.8778                -0.1270
 Delta2 Fr= 1--      0.2575                 0.1810                 0.1910
 Raman1 Fr= 1--      51.653                  5.889                  7.652
 ROA1   Fr= 1--     236.200                 90.056                 -6.084
 CID1   Fr= 1--       4.573                 15.292                 -0.795
 Raman2 Fr= 1--      11.161                  1.060                  2.653
 ROA2   Fr= 1--      54.930                 19.619                 -4.577
 CID2   Fr= 1--       4.922                 18.511                 -1.726
 Raman3 Fr= 1--      22.321                  2.120                  5.306
 ROA3   Fr= 1--     236.200                 90.056                 -6.084
 CID3   Fr= 1--      10.582                 42.485                 -1.147
 RC180  Fr= 1--      -0.136                 -0.280                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.03  -0.01    -0.05  -0.01   0.01     0.02   0.02   0.09
     2   6    -0.05   0.06  -0.00    -0.03  -0.04  -0.02     0.01  -0.03  -0.16
     3   6     0.10   0.03  -0.01    -0.04   0.02   0.02     0.01   0.01   0.00
     4   6     0.03   0.02  -0.00     0.00   0.02  -0.04    -0.03  -0.03  -0.19
     5   6    -0.09   0.08  -0.02    -0.01   0.03  -0.00     0.01  -0.01   0.01
     6   6    -0.09   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.01  -0.00
     7   6     0.12  -0.09   0.01    -0.02   0.02  -0.00     0.00  -0.00   0.06
     8   1     0.08   0.04  -0.03    -0.08   0.04   0.02     0.04   0.04   0.21
     9   1    -0.15   0.05  -0.01     0.01   0.06   0.06     0.05   0.07   0.38
    10   1    -0.08   0.09   0.02     0.04  -0.03   0.06     0.02   0.06   0.36
    11   6     0.00   0.06   0.03     0.04  -0.12  -0.02    -0.02   0.00   0.03
    12   6    -0.01   0.01   0.03     0.00  -0.01  -0.03    -0.04  -0.00   0.09
    13   6    -0.04   0.08  -0.02     0.05  -0.08   0.03     0.00   0.05  -0.02
    14   1     0.06   0.10   0.11    -0.05  -0.16  -0.06    -0.03   0.02   0.11
    15   1     0.01   0.01   0.01    -0.07   0.01   0.09    -0.08   0.00   0.14
    16   1    -0.01  -0.01   0.03     0.00   0.06  -0.09    -0.05   0.02   0.04
    17   1    -0.02  -0.00   0.06     0.01   0.04  -0.09    -0.07   0.02   0.07
    18   8     0.01  -0.02  -0.05    -0.04   0.06   0.03     0.04   0.01   0.01
    19   8     0.00  -0.09   0.03     0.05  -0.00   0.03     0.01  -0.02  -0.03
    20   1    -0.37   0.64  -0.33    -0.36   0.80  -0.24     0.06  -0.12  -0.02
    21   6     0.12  -0.15   0.02    -0.02   0.06  -0.01    -0.01  -0.02  -0.05
    22   6    -0.06  -0.05   0.00     0.04   0.03   0.02     0.01   0.04   0.24
    23   6    -0.06  -0.05   0.01    -0.01   0.00   0.00     0.01   0.00  -0.02
    24   8    -0.07   0.05  -0.00     0.06  -0.05  -0.00    -0.02   0.00  -0.05
    25   6     0.01  -0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.06  -0.06   0.03     0.03  -0.01  -0.03    -0.03  -0.05  -0.25
    27   1     0.19  -0.10   0.02    -0.04   0.04  -0.05    -0.03  -0.10  -0.53
    28   1     0.04  -0.10   0.03    -0.07   0.04  -0.01     0.01  -0.05  -0.26
    29   1     0.08   0.00  -0.01    -0.06  -0.02   0.01     0.04   0.03  -0.00
    30   1    -0.02  -0.13   0.02     0.02   0.09  -0.01    -0.01  -0.02   0.02
    31   1     0.08   0.01  -0.01    -0.07  -0.02   0.01    -0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.0611               688.6525               694.7396
 Red. masses --      5.3781                 5.2760                 3.7411
 Frc consts  --      1.2820                 1.4742                 1.0639
 IR Inten    --      2.4628                 4.1390                10.8455
 RamAct Fr= 1--      0.8052                 2.1145                 0.0745
  Dep-P Fr= 1--      0.7366                 0.1845                 0.4242
  Dep-U Fr= 1--      0.8483                 0.3115                 0.5957
 Alpha2 Fr= 1--      0.0002                 0.0299                 0.0005
 Beta2  Fr= 1--      0.1138                 0.1098                 0.0074
 AlphaG Fr= 1--      0.0065                -0.1126                -0.0057
 Gamma2 Fr= 1--      0.2857                -1.1700                -0.2433
 Delta2 Fr= 1--      0.0565                -0.2384                -0.1346
 Raman1 Fr= 1--       3.221                  8.458                  0.298
 ROA1   Fr= 1--      29.236               -119.946                -27.668
 CID1   Fr= 1--       9.078                -14.181                -92.811
 Raman2 Fr= 1--       1.366                  1.317                  0.089
 ROA2   Fr= 1--       6.405                -26.173                 -4.763
 CID2   Fr= 1--       4.689                -19.869                -53.636
 Raman3 Fr= 1--       2.732                  2.634                  0.178
 ROA3   Fr= 1--      29.236               -119.946                -27.668
 CID3   Fr= 1--      10.701                -45.529               -155.792
 RC180  Fr= 1--       0.697                 -0.377                  0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01   0.02    -0.06   0.05   0.06    -0.03   0.01  -0.11
     2   6    -0.18   0.03  -0.01    -0.05   0.04   0.02    -0.01   0.01  -0.03
     3   6    -0.10  -0.17   0.02    -0.09  -0.09   0.08    -0.06  -0.05  -0.05
     4   6     0.15  -0.05  -0.01    -0.03  -0.06  -0.16    -0.01   0.03   0.25
     5   6     0.06   0.06  -0.03     0.16  -0.01   0.06     0.06  -0.04  -0.08
     6   6     0.03   0.21  -0.03     0.14   0.12  -0.11     0.08   0.07   0.09
     7   6     0.04   0.13  -0.00     0.13   0.14  -0.13     0.09   0.10   0.10
     8   1    -0.18  -0.12   0.06    -0.08  -0.08   0.17    -0.05  -0.10  -0.24
     9   1    -0.13  -0.05   0.05     0.14   0.01   0.28     0.04  -0.11  -0.46
    10   1     0.11   0.18   0.03     0.17   0.12  -0.07     0.07   0.05  -0.01
    11   6     0.20   0.08   0.06    -0.12  -0.06  -0.03    -0.08  -0.00  -0.03
    12   6     0.03   0.01  -0.03    -0.06  -0.02   0.11     0.00   0.00  -0.03
    13   6    -0.00   0.05   0.08    -0.07   0.00  -0.11    -0.01  -0.07  -0.03
    14   1     0.29   0.11   0.08    -0.15  -0.04   0.06    -0.10  -0.03  -0.11
    15   1    -0.10  -0.05  -0.06    -0.02   0.03   0.21     0.13   0.02  -0.10
    16   1     0.01  -0.02  -0.34    -0.05   0.02   0.24     0.02  -0.03   0.20
    17   1    -0.17  -0.07   0.18     0.03   0.07  -0.05     0.13  -0.01  -0.09
    18   8     0.01  -0.08  -0.16    -0.03   0.02   0.14    -0.05   0.02   0.06
    19   8    -0.12  -0.03   0.09     0.12   0.01  -0.10     0.05   0.02  -0.05
    20   1    -0.01  -0.25  -0.03     0.08   0.10   0.14    -0.00   0.13   0.06
    21   6     0.05   0.06  -0.03     0.15  -0.00   0.06     0.07  -0.03  -0.10
    22   6     0.06  -0.00   0.05    -0.02  -0.06  -0.14     0.00   0.02   0.20
    23   6    -0.16  -0.10   0.02    -0.10  -0.09   0.07    -0.04  -0.06  -0.05
    24   8     0.10  -0.09  -0.00    -0.07   0.04   0.02    -0.05   0.02  -0.03
    25   6     0.00  -0.02   0.00    -0.04  -0.05   0.01    -0.02  -0.03   0.00
    26   1     0.10   0.09  -0.06     0.16   0.13  -0.10     0.09   0.10   0.09
    27   1    -0.05  -0.02  -0.12     0.12   0.02   0.31     0.03  -0.10  -0.40
    28   1    -0.24  -0.07  -0.05    -0.06  -0.07   0.26    -0.03  -0.12  -0.30
    29   1    -0.09  -0.04   0.02     0.01  -0.05   0.00     0.03   0.00   0.00
    30   1     0.04   0.14  -0.03    -0.06  -0.13   0.03    -0.04  -0.09   0.02
    31   1    -0.10  -0.05   0.01     0.03  -0.02  -0.00     0.01  -0.03   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    739.1923               778.3293               785.0927
 Red. masses --      5.4954                 3.5966                 2.7592
 Frc consts  --      1.7691                 1.2837                 1.0020
 IR Inten    --      5.1013                 0.8418                 0.3794
 RamAct Fr= 1--     17.0301                37.8677                14.8413
  Dep-P Fr= 1--      0.0416                 0.0697                 0.0839
  Dep-U Fr= 1--      0.0799                 0.1303                 0.1548
 Alpha2 Fr= 1--      0.3432                 0.7136                 0.2702
 Beta2  Fr= 1--      0.2268                 0.8224                 0.3829
 AlphaG Fr= 1--     -0.1973                 0.1224                -0.0902
 Gamma2 Fr= 1--     -2.0015                 2.6022                -0.0349
 Delta2 Fr= 1--      0.0652                 0.5321                 0.2129
 Raman1 Fr= 1--      68.121                151.471                 59.365
 ROA1   Fr= 1--    -190.055                266.838                  3.464
 CID1   Fr= 1--      -2.790                  1.762                  0.058
 Raman2 Fr= 1--       2.722                  9.869                  4.595
 ROA2   Fr= 1--     -48.557                 58.196                 -2.540
 CID2   Fr= 1--     -17.841                  5.897                 -0.553
 Raman3 Fr= 1--       5.443                 19.738                  9.190
 ROA3   Fr= 1--    -190.055                266.838                  3.464
 CID3   Fr= 1--     -34.916                 13.519                  0.377
 RC180  Fr= 1--      -0.840                 -0.739                 -0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.10   0.03    -0.01  -0.05   0.15     0.03   0.07   0.17
     2   6     0.05  -0.03  -0.01     0.01   0.07  -0.15    -0.03  -0.09  -0.18
     3   6    -0.06   0.06  -0.01    -0.07  -0.11  -0.00     0.05   0.05  -0.05
     4   6    -0.12   0.01  -0.05    -0.01  -0.01   0.06     0.03   0.03   0.11
     5   6     0.01  -0.11   0.01     0.03  -0.02  -0.07    -0.02  -0.00  -0.07
     6   6    -0.00  -0.15   0.01     0.05   0.19  -0.01    -0.02  -0.09   0.09
     7   6     0.13   0.19  -0.07    -0.04  -0.19   0.01     0.01   0.09  -0.04
     8   1     0.01   0.03   0.04    -0.11  -0.14  -0.21     0.04  -0.02  -0.39
     9   1     0.14  -0.00   0.15    -0.08  -0.06   0.07     0.03   0.02  -0.12
    10   1    -0.06  -0.09   0.14    -0.01   0.28   0.20     0.03  -0.09   0.20
    11   6    -0.05   0.08   0.00    -0.09   0.08  -0.02     0.05  -0.03   0.01
    12   6     0.01   0.01  -0.05    -0.03   0.01   0.02     0.02  -0.00  -0.02
    13   6     0.24  -0.13   0.20     0.09  -0.12   0.06    -0.06   0.05  -0.04
    14   1    -0.23  -0.08  -0.28    -0.17  -0.02  -0.23     0.12   0.02   0.10
    15   1     0.08  -0.05  -0.28     0.13  -0.02  -0.23    -0.03   0.01   0.07
    16   1     0.01  -0.09   0.01    -0.02  -0.11   0.23     0.02   0.05  -0.09
    17   1     0.02  -0.12   0.09     0.06  -0.10   0.10    -0.01   0.04  -0.05
    18   8     0.06   0.09  -0.15    -0.01   0.04  -0.02    -0.01  -0.03   0.02
    19   8    -0.14   0.01   0.10    -0.02   0.02  -0.02     0.02  -0.01  -0.01
    20   1    -0.13  -0.02  -0.33    -0.02   0.03  -0.07     0.03  -0.03   0.08
    21   6     0.13  -0.03   0.02    -0.01  -0.03   0.08     0.01   0.05   0.09
    22   6    -0.01  -0.05  -0.03    -0.02   0.01  -0.06     0.00  -0.02  -0.06
    23   6     0.01  -0.08   0.03     0.07   0.10  -0.02    -0.05  -0.06   0.00
    24   8    -0.12   0.08  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.05  -0.05   0.01     0.02   0.02  -0.00    -0.01  -0.01   0.00
    26   1     0.10   0.19  -0.11    -0.02  -0.26  -0.22    -0.03   0.04  -0.38
    27   1     0.05  -0.07   0.06     0.11   0.02  -0.09    -0.08  -0.04  -0.16
    28   1     0.08  -0.10   0.10     0.16   0.14   0.36    -0.04   0.08   0.61
    29   1     0.05  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
    30   1    -0.10  -0.22   0.05     0.03   0.08  -0.00    -0.01  -0.02   0.03
    31   1     0.06  -0.01  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.4058               833.7445               840.2338
 Red. masses --      1.4953                 1.6597                 2.6882
 Frc consts  --      0.5930                 0.6797                 1.1182
 IR Inten    --      9.0106                12.6070                11.6499
 RamAct Fr= 1--      1.0081                 0.3176                 2.3841
  Dep-P Fr= 1--      0.3524                 0.6196                 0.7429
  Dep-U Fr= 1--      0.5212                 0.7651                 0.8525
 Alpha2 Fr= 1--      0.0088                 0.0008                 0.0003
 Beta2  Fr= 1--      0.0876                 0.0405                 0.3388
 AlphaG Fr= 1--     -0.0525                -0.0182                 0.0011
 Gamma2 Fr= 1--     -0.3663                -0.1656                 1.7228
 Delta2 Fr= 1--     -0.3210                -0.2167                 1.1334
 Raman1 Fr= 1--       4.032                  1.271                  9.537
 ROA1   Fr= 1--     -45.438                -22.837                201.655
 CID1   Fr= 1--     -11.268                -17.974                 21.145
 Raman2 Fr= 1--       1.051                  0.486                  4.065
 ROA2   Fr= 1--      -6.223                 -2.242                 32.280
 CID2   Fr= 1--      -5.922                 -4.612                  7.941
 Raman3 Fr= 1--       2.102                  0.972                  8.130
 ROA3   Fr= 1--     -45.438                -22.837                201.655
 CID3   Fr= 1--     -21.620                -23.493                 24.804
 RC180  Fr= 1--       0.042                  0.530                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.00   0.01   0.10     0.05   0.02   0.02
     2   6    -0.01  -0.01   0.03     0.01  -0.01  -0.07    -0.05  -0.03  -0.01
     3   6     0.03   0.01  -0.02    -0.02   0.00   0.03     0.11   0.02   0.00
     4   6     0.02   0.01   0.08    -0.01   0.00  -0.00     0.04  -0.02  -0.08
     5   6    -0.01  -0.02  -0.09     0.00   0.00  -0.02    -0.00  -0.01   0.04
     6   6    -0.02  -0.04  -0.08     0.01   0.02   0.02    -0.03  -0.04   0.05
     7   6    -0.01   0.01  -0.02    -0.00  -0.03  -0.10    -0.02   0.02  -0.04
     8   1     0.04  -0.01  -0.09    -0.06  -0.07  -0.37     0.18  -0.02  -0.02
     9   1     0.03   0.09   0.50     0.00  -0.00  -0.05    -0.02  -0.05  -0.17
    10   1     0.05   0.08   0.62     0.00   0.02   0.01    -0.01  -0.12  -0.29
    11   6     0.02   0.04   0.02    -0.01  -0.05  -0.01     0.02   0.17   0.01
    12   6     0.00   0.01  -0.00    -0.00  -0.01  -0.01    -0.02   0.05   0.09
    13   6    -0.01  -0.04  -0.01    -0.00   0.05  -0.00     0.02  -0.15   0.02
    14   1     0.05   0.03  -0.05    -0.02  -0.03   0.05     0.05   0.10  -0.21
    15   1     0.03  -0.01  -0.10    -0.02   0.02   0.09     0.05  -0.08  -0.31
    16   1     0.00  -0.04   0.01     0.00   0.05   0.00    -0.03  -0.18   0.04
    17   1    -0.01  -0.05   0.08     0.03   0.05  -0.11    -0.14  -0.21   0.46
    18   8    -0.04  -0.01   0.02     0.03   0.00  -0.01    -0.08   0.00   0.03
    19   8     0.02   0.00  -0.04    -0.02  -0.00   0.03     0.05   0.02  -0.10
    20   1     0.01   0.02   0.04     0.00  -0.05  -0.02     0.01   0.11   0.03
    21   6    -0.01   0.01  -0.02    -0.00  -0.02  -0.10    -0.04   0.02  -0.04
    22   6    -0.00  -0.01  -0.04     0.01   0.02   0.10    -0.00   0.02   0.07
    23   6    -0.02   0.00   0.07     0.02   0.00  -0.01    -0.09  -0.04  -0.04
    24   8     0.01  -0.00   0.01    -0.01   0.00  -0.02     0.03  -0.03  -0.01
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
    26   1    -0.01   0.04   0.09     0.05   0.09   0.59    -0.05   0.10   0.23
    27   1    -0.01   0.03   0.17     0.06   0.11   0.62    -0.05   0.05   0.22
    28   1    -0.07  -0.08  -0.45     0.03  -0.00  -0.00    -0.14   0.05   0.25
    29   1    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
    30   1     0.00   0.01  -0.02    -0.01  -0.01   0.01     0.03   0.06  -0.00
    31   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.1396               881.1327               927.3481
 Red. masses --      3.1796                 1.8218                 1.5404
 Frc consts  --      1.4054                 0.8334                 0.7805
 IR Inten    --      5.7850                37.4327                10.5803
 RamAct Fr= 1--     20.2751                 2.1701                 1.0748
  Dep-P Fr= 1--      0.1031                 0.6099                 0.2772
  Dep-U Fr= 1--      0.1869                 0.7577                 0.4341
 Alpha2 Fr= 1--      0.3523                 0.0056                 0.0118
 Beta2  Fr= 1--      0.6317                 0.2740                 0.0778
 AlphaG Fr= 1--      0.1570                 0.0958                 0.1118
 Gamma2 Fr= 1--     -0.2317                -0.4212                 0.1612
 Delta2 Fr= 1--     -0.7988                -0.2918                -0.0273
 Raman1 Fr= 1--      81.100                  8.680                  4.299
 ROA1   Fr= 1--     -47.807                -49.768                 14.606
 CID1   Fr= 1--      -0.589                 -5.733                  3.397
 Raman2 Fr= 1--       7.580                  3.288                  0.933
 ROA2   Fr= 1--       0.829                 -7.774                  4.088
 CID2   Fr= 1--       0.109                 -2.364                  4.381
 Raman3 Fr= 1--      15.161                  6.577                  1.866
 ROA3   Fr= 1--     -47.807                -49.768                 14.606
 CID3   Fr= 1--      -3.153                 -7.567                  7.826
 RC180  Fr= 1--      -0.626                  0.515                 -0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.08
     2   6     0.09   0.03  -0.01     0.01   0.02   0.14    -0.01  -0.00  -0.03
     3   6    -0.18  -0.04   0.01     0.01   0.00  -0.00    -0.01  -0.02  -0.17
     4   6    -0.01   0.04  -0.01    -0.00   0.00   0.03    -0.00   0.01   0.07
     5   6    -0.06   0.01   0.00    -0.00  -0.01  -0.06     0.01  -0.02  -0.01
     6   6    -0.05  -0.03   0.01     0.00  -0.01  -0.07     0.01   0.01   0.03
     7   6     0.03   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.01  -0.01
     8   1    -0.34   0.05   0.07     0.01   0.01   0.07     0.06   0.17   0.88
     9   1    -0.07   0.01   0.03     0.04   0.08   0.44     0.01  -0.01   0.03
    10   1    -0.17   0.03  -0.03     0.03   0.05   0.25    -0.01  -0.01  -0.12
    11   6     0.17   0.06   0.07    -0.01  -0.01   0.00    -0.01  -0.00   0.02
    12   6     0.08   0.02   0.00    -0.00  -0.00  -0.02     0.01  -0.00  -0.03
    13   6    -0.05  -0.06  -0.02    -0.00   0.01  -0.00    -0.00  -0.00  -0.01
    14   1     0.15   0.08   0.16    -0.01  -0.01   0.00    -0.00   0.01   0.05
    15   1    -0.18  -0.06   0.03     0.02   0.01   0.00     0.01   0.01   0.00
    16   1     0.05   0.04  -0.49     0.00   0.01   0.03     0.01   0.01   0.01
    17   1    -0.23  -0.04   0.27     0.03   0.02  -0.06     0.04   0.02  -0.08
    18   8    -0.08  -0.04   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.05  -0.00  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   1     0.02   0.08   0.09     0.00  -0.01  -0.00    -0.01   0.03  -0.00
    21   6     0.05  -0.05  -0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04
    22   6     0.03  -0.03   0.02     0.01   0.02   0.09    -0.00   0.01   0.01
    23   6     0.18   0.04  -0.04    -0.02  -0.03  -0.18    -0.01   0.00   0.01
    24   8    -0.06   0.06  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.00
    25   6    -0.04  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.11  -0.02   0.04     0.00   0.01   0.05    -0.01  -0.02  -0.07
    27   1     0.05  -0.05   0.06     0.00   0.01   0.01     0.04   0.06   0.33
    28   1     0.35  -0.01   0.09     0.04   0.14   0.79    -0.02   0.01   0.01
    29   1     0.04  -0.00  -0.01    -0.00  -0.01  -0.00    -0.00   0.00   0.00
    30   1    -0.08  -0.15   0.04     0.01   0.01   0.03     0.01   0.01  -0.00
    31   1     0.04   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    947.9456               961.4682               969.3010
 Red. masses --      3.5160                 1.3108                 1.3281
 Frc consts  --      1.8615                 0.7139                 0.7352
 IR Inten    --     24.0741                 0.5705                 0.6349
 RamAct Fr= 1--      0.6269                 1.6587                 0.5694
  Dep-P Fr= 1--      0.7248                 0.7231                 0.6149
  Dep-U Fr= 1--      0.8405                 0.8393                 0.7615
 Alpha2 Fr= 1--      0.0003                 0.0008                 0.0014
 Beta2  Fr= 1--      0.0878                 0.2320                 0.0723
 AlphaG Fr= 1--     -0.0083                 0.0294                -0.0525
 Gamma2 Fr= 1--      0.9625                 0.1111                -0.4232
 Delta2 Fr= 1--     -1.4554                -0.0759                 0.1891
 Raman1 Fr= 1--       2.508                  6.635                  2.278
 ROA1   Fr= 1--      45.821                  8.233                -34.578
 CID1   Fr= 1--      18.272                  1.241                -15.181
 Raman2 Fr= 1--       1.054                  2.784                  0.867
 ROA2   Fr= 1--      34.742                  3.273                -11.670
 CID2   Fr= 1--      32.968                  1.175                -13.455
 Raman3 Fr= 1--       2.108                  5.569                  1.735
 ROA3   Fr= 1--      45.821                  8.233                -34.578
 CID3   Fr= 1--      21.741                  1.478                -19.935
 RC180  Fr= 1--       0.681                  0.679                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.03
     2   6     0.06  -0.06   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     3   6     0.03  -0.17   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.05
     4   6     0.11  -0.03   0.00    -0.00   0.00   0.01     0.00   0.00   0.01
     5   6    -0.11   0.23  -0.04    -0.01  -0.02  -0.11     0.00   0.01   0.03
     6   6    -0.04  -0.00   0.01     0.01   0.02   0.11    -0.00  -0.00  -0.03
     7   6    -0.02   0.06  -0.00    -0.00  -0.01  -0.02    -0.01  -0.02  -0.12
     8   1     0.03  -0.14   0.17    -0.00  -0.01  -0.05     0.02   0.04   0.21
     9   1    -0.19   0.19  -0.00     0.04   0.12   0.68    -0.02  -0.03  -0.15
    10   1     0.16  -0.10  -0.02    -0.04  -0.12  -0.64     0.01   0.03   0.16
    11   6    -0.03  -0.02  -0.07    -0.00  -0.00   0.01    -0.00   0.00   0.00
    12   6    -0.08   0.01   0.05     0.00  -0.00  -0.01     0.00   0.00  -0.00
    13   6     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.08  -0.03  -0.27    -0.00  -0.00  -0.00     0.00   0.00   0.01
    15   1     0.18   0.02  -0.16     0.01   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.06  -0.14   0.44     0.00   0.00   0.01     0.00  -0.00   0.01
    17   1     0.12  -0.08   0.02     0.01   0.00  -0.02     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.01   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    21   6    -0.07   0.15  -0.03     0.00   0.01   0.03     0.00   0.02   0.10
    22   6     0.07  -0.05   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    23   6     0.13  -0.11   0.01     0.00   0.00   0.02     0.00  -0.01  -0.01
    24   8    -0.06   0.08  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.06  -0.04   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.14  -0.03  -0.05     0.01   0.03   0.16     0.06   0.12   0.70
    27   1    -0.20   0.08   0.07    -0.01  -0.03  -0.19    -0.04  -0.10  -0.59
    28   1     0.27  -0.18   0.02    -0.01  -0.02  -0.07     0.01  -0.01   0.02
    29   1     0.06  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    30   1    -0.11  -0.21   0.05    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    31   1     0.06  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.2348              1029.0133              1061.6700
 Red. masses --      3.5082                 2.1282                 4.7249
 Frc consts  --      1.9942                 1.3277                 3.1378
 IR Inten    --      0.9567                 3.4775                54.5933
 RamAct Fr= 1--     13.6215                 4.2818                 2.9426
  Dep-P Fr= 1--      0.1114                 0.4382                 0.4023
  Dep-U Fr= 1--      0.2005                 0.6093                 0.5738
 Alpha2 Fr= 1--      0.2319                 0.0275                 0.0216
 Beta2  Fr= 1--      0.4552                 0.4348                 0.2814
 AlphaG Fr= 1--     -0.1131                 0.0938                 0.0100
 Gamma2 Fr= 1--     -0.1461                -0.6669                 0.5288
 Delta2 Fr= 1--      0.3466                -1.3000                 0.0278
 Raman1 Fr= 1--      54.486                 17.127                 11.771
 ROA1   Fr= 1--      -2.939               -105.623                 51.656
 CID1   Fr= 1--      -0.054                 -6.167                  4.389
 Raman2 Fr= 1--       5.463                  5.218                  3.377
 ROA2   Fr= 1--      -6.280                 -5.606                 12.470
 CID2   Fr= 1--      -1.150                 -1.074                  3.693
 Raman3 Fr= 1--      10.926                 10.436                  6.754
 ROA3   Fr= 1--      -2.939               -105.623                 51.656
 CID3   Fr= 1--      -0.269                -10.121                  7.649
 RC180  Fr= 1--      -0.599                  0.219                  0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.00     0.05  -0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.03   0.02  -0.01     0.00  -0.02   0.00    -0.05  -0.03   0.01
     3   6     0.05   0.14  -0.02     0.04  -0.11   0.03     0.03   0.02  -0.00
     4   6    -0.07  -0.00  -0.00    -0.02  -0.02  -0.02     0.00  -0.01  -0.00
     5   6     0.00  -0.14   0.03    -0.03   0.09  -0.01     0.01  -0.02   0.00
     6   6     0.02   0.13  -0.02     0.02  -0.01   0.00     0.01   0.03  -0.01
     7   6    -0.02  -0.12   0.03     0.00   0.02  -0.00    -0.08  -0.04   0.01
     8   1     0.06   0.12  -0.09     0.23  -0.23  -0.04     0.10  -0.01  -0.02
     9   1    -0.11  -0.21   0.03     0.00   0.11  -0.05    -0.07  -0.06   0.01
    10   1    -0.23   0.26  -0.03     0.19  -0.10   0.00     0.06   0.01  -0.01
    11   6    -0.01   0.02   0.05    -0.11   0.09   0.13    -0.02   0.01   0.02
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12    -0.00  -0.00  -0.02
    13   6     0.00  -0.01   0.01     0.03  -0.06   0.06     0.00  -0.01   0.01
    14   1    -0.05   0.03   0.15    -0.34   0.13   0.53    -0.01   0.03   0.06
    15   1    -0.08  -0.01   0.04    -0.10   0.04   0.22     0.01   0.01   0.01
    16   1     0.03   0.06  -0.23     0.06   0.21  -0.27     0.00   0.02   0.01
    17   1    -0.06   0.03  -0.00    -0.00   0.17  -0.33     0.02   0.02  -0.06
    18   8    -0.01  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.00   0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.05     0.00   0.00  -0.01
    20   1     0.01  -0.01  -0.02     0.02  -0.00  -0.06     0.01  -0.01  -0.02
    21   6    -0.05   0.25  -0.05    -0.03   0.01  -0.00     0.01  -0.11   0.02
    22   6     0.07  -0.03   0.00    -0.01  -0.00   0.00     0.19   0.07  -0.03
    23   6    -0.01  -0.24   0.04     0.00  -0.00   0.00    -0.02   0.05  -0.01
    24   8    -0.02   0.06  -0.01    -0.01  -0.01   0.00     0.15   0.27  -0.06
    25   6    -0.05  -0.04   0.01     0.01   0.01  -0.00    -0.17  -0.30   0.07
    26   1     0.33  -0.31  -0.00    -0.04   0.04  -0.01    -0.32   0.08   0.01
    27   1     0.08   0.34  -0.04    -0.06  -0.00   0.01    -0.26  -0.30   0.07
    28   1     0.12  -0.31   0.05     0.00  -0.00  -0.00    -0.39   0.25  -0.02
    29   1     0.04  -0.01  -0.00     0.01   0.01  -0.00    -0.15  -0.21   0.08
    30   1    -0.08  -0.15   0.03     0.01   0.01  -0.00    -0.12  -0.14   0.03
    31   1     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.16  -0.22   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1091.5827              1098.9056              1151.7242
 Red. masses --      2.1733                 1.9279                 1.4455
 Frc consts  --      1.5258                 1.3717                 1.1297
 IR Inten    --      3.2902                19.0391                14.8392
 RamAct Fr= 1--      2.3930                 9.1477                 1.3307
  Dep-P Fr= 1--      0.6525                 0.1776                 0.6695
  Dep-U Fr= 1--      0.7897                 0.3016                 0.8021
 Alpha2 Fr= 1--      0.0042                 0.1318                 0.0019
 Beta2  Fr= 1--      0.3150                 0.4598                 0.1779
 AlphaG Fr= 1--      0.0005                -0.2046                -0.0014
 Gamma2 Fr= 1--      0.1522                -1.6597                 0.2030
 Delta2 Fr= 1--      0.3041                 1.9291                 0.3640
 Raman1 Fr= 1--       9.572                 36.591                  5.323
 ROA1   Fr= 1--      24.345                -97.598                 31.133
 CID1   Fr= 1--       2.543                 -2.667                  5.849
 Raman2 Fr= 1--       3.780                  5.517                  2.135
 ROA2   Fr= 1--       1.221                -55.266                  1.959
 CID2   Fr= 1--       0.323                -10.017                  0.918
 Raman3 Fr= 1--       7.560                 11.034                  4.269
 ROA3   Fr= 1--      24.345                -97.598                 31.133
 CID3   Fr= 1--       3.220                 -8.845                  7.293
 RC180  Fr= 1--       0.579                 -0.397                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.08  -0.01
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.02   0.04  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.06   0.00    -0.05  -0.04   0.01
     4   6     0.10   0.05  -0.00     0.05  -0.01  -0.06    -0.03  -0.02   0.00
     5   6     0.01  -0.06   0.01     0.01  -0.03   0.02     0.01   0.04  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.02  -0.05   0.01
     7   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.06  -0.05   0.01
     8   1    -0.16   0.10  -0.00    -0.21   0.15  -0.07     0.06  -0.10   0.01
     9   1    -0.05  -0.10   0.04    -0.03  -0.06  -0.03     0.26   0.19  -0.05
    10   1    -0.22   0.06   0.00    -0.10   0.04  -0.01    -0.06  -0.03   0.01
    11   6     0.05   0.15  -0.14     0.05  -0.01   0.16     0.04   0.01  -0.01
    12   6    -0.06  -0.14   0.06    -0.11   0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.04  -0.09  -0.02    -0.01   0.01   0.09     0.00  -0.01   0.00
    14   1    -0.02   0.22   0.18     0.32   0.07   0.13     0.16   0.06   0.01
    15   1    -0.05   0.06   0.57     0.33   0.12  -0.23     0.04   0.02   0.03
    16   1    -0.04   0.23   0.25    -0.07  -0.06   0.52    -0.01   0.01   0.08
    17   1     0.09   0.20  -0.41     0.32  -0.01  -0.36     0.04   0.01  -0.06
    18   8    -0.02   0.00  -0.00    -0.04  -0.02   0.00    -0.01  -0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.06    -0.00   0.00   0.00
    20   1    -0.04   0.04   0.16     0.05  -0.04  -0.13    -0.00   0.01   0.02
    21   6    -0.01   0.00  -0.00     0.01  -0.01   0.00     0.05   0.02  -0.01
    22   6     0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03  -0.01
    25   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
    26   1     0.04  -0.01  -0.00     0.04  -0.00  -0.00    -0.39   0.12   0.01
    27   1    -0.07  -0.04   0.01    -0.02  -0.02   0.01     0.64   0.40  -0.12
    28   1     0.05  -0.02   0.00     0.02   0.01  -0.00     0.09  -0.12   0.02
    29   1     0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.02   0.02
    30   1    -0.01  -0.01   0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
    31   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1173.9724              1175.6043              1179.5644
 Red. masses --      1.2770                 1.8628                 1.6646
 Frc consts  --      1.0370                 1.5168                 1.3646
 IR Inten    --      0.8225                42.2800                10.3728
 RamAct Fr= 1--      0.9812                15.1711                 8.6399
  Dep-P Fr= 1--      0.7473                 0.4590                 0.6773
  Dep-U Fr= 1--      0.8554                 0.6292                 0.8076
 Alpha2 Fr= 1--      0.0000                 0.0897                 0.0111
 Beta2  Fr= 1--      0.1399                 1.5909                 1.1630
 AlphaG Fr= 1--      0.0081                 0.0257                -0.0063
 Gamma2 Fr= 1--      0.0639                 2.7416                -1.0698
 Delta2 Fr= 1--      0.0144                 3.8125                -2.3799
 Raman1 Fr= 1--       3.925                 60.684                 34.560
 ROA1   Fr= 1--       6.593                385.198               -178.861
 CID1   Fr= 1--       1.680                  6.348                 -5.175
 Raman2 Fr= 1--       1.679                 19.091                 13.956
 ROA2   Fr= 1--       1.417                 35.299                 -6.637
 CID2   Fr= 1--       0.844                  1.849                 -0.476
 Raman3 Fr= 1--       3.357                 38.183                 27.911
 ROA3   Fr= 1--       6.593                385.198               -178.861
 CID3   Fr= 1--       1.964                 10.088                 -6.408
 RC180  Fr= 1--       0.711                  0.258                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03  -0.03   0.00     0.03  -0.03   0.00
     2   6     0.00   0.00   0.00    -0.00   0.06  -0.01     0.01   0.04  -0.01
     3   6     0.00  -0.00   0.00     0.01  -0.05   0.00     0.00  -0.04   0.01
     4   6     0.00   0.00   0.00     0.09   0.05   0.01    -0.01   0.01  -0.02
     5   6     0.00  -0.00  -0.00     0.06  -0.01  -0.01     0.06   0.01  -0.00
     6   6    -0.00  -0.00  -0.00    -0.07  -0.05   0.01    -0.06  -0.02   0.01
     7   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.00  -0.00
     8   1    -0.00   0.00   0.00    -0.17   0.04   0.03    -0.02  -0.04  -0.02
     9   1     0.00   0.00   0.00     0.40   0.19  -0.05     0.49   0.27  -0.10
    10   1    -0.00   0.00   0.00    -0.47   0.16   0.00    -0.43   0.17  -0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.04    -0.00  -0.02   0.08
    12   6     0.00  -0.00   0.00     0.02  -0.01   0.01    -0.01   0.04  -0.03
    13   6    -0.00   0.00   0.00    -0.04   0.09   0.14     0.03  -0.06  -0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.17  -0.18     0.02   0.02   0.17
    15   1    -0.00  -0.00   0.00    -0.08  -0.03   0.04     0.07   0.02  -0.17
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.11    -0.00  -0.06   0.05
    17   1    -0.00   0.00   0.00    -0.07   0.01   0.04     0.04  -0.05   0.05
    18   8    -0.00  -0.00  -0.00    -0.03  -0.03   0.00     0.04   0.03   0.00
    19   8     0.00   0.00  -0.00     0.05   0.00  -0.05    -0.05  -0.01   0.04
    20   1     0.00  -0.00  -0.00     0.10  -0.12  -0.43    -0.11   0.12   0.43
    21   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    22   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.00  -0.02   0.00
    23   6    -0.00  -0.00  -0.00    -0.03  -0.00   0.00    -0.03   0.01   0.00
    24   8     0.00   0.01   0.06     0.03   0.02  -0.01     0.01   0.01  -0.00
    25   6    -0.01  -0.02  -0.14    -0.00  -0.03   0.01    -0.00  -0.01   0.00
    26   1     0.00   0.00   0.00     0.06  -0.02   0.00     0.18  -0.08   0.00
    27   1    -0.00   0.00   0.01    -0.13  -0.05   0.02    -0.24  -0.12   0.04
    28   1     0.00   0.00   0.02     0.10  -0.07   0.01    -0.00  -0.00   0.00
    29   1     0.30   0.59   0.05    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    30   1     0.02   0.05   0.28     0.02   0.05  -0.01     0.00   0.01  -0.00
    31   1    -0.28  -0.53   0.30    -0.02  -0.01  -0.01    -0.01  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1194.6436              1199.0277              1222.1315
 Red. masses --      1.4623                 1.5793                 1.7380
 Frc consts  --      1.2296                 1.3378                 1.5294
 IR Inten    --     14.7381                26.0099                17.4943
 RamAct Fr= 1--      1.0102                41.2661                 6.3685
  Dep-P Fr= 1--      0.7156                 0.1121                 0.3128
  Dep-U Fr= 1--      0.8342                 0.2016                 0.4765
 Alpha2 Fr= 1--      0.0006                 0.7013                 0.0628
 Beta2  Fr= 1--      0.1405                 1.3867                 0.5058
 AlphaG Fr= 1--     -0.0005                -0.0536                -0.0047
 Gamma2 Fr= 1--     -2.1784                -1.9913                 0.7168
 Delta2 Fr= 1--     -1.0144                 0.4969                -0.3391
 Raman1 Fr= 1--       4.041                165.065                 25.474
 ROA1   Fr= 1--    -241.589               -175.263                 57.965
 CID1   Fr= 1--     -59.787                 -1.062                  2.275
 Raman2 Fr= 1--       1.686                 16.641                  6.069
 ROA2   Fr= 1--     -44.167                -51.766                 19.917
 CID2   Fr= 1--     -26.204                 -3.111                  3.282
 Raman3 Fr= 1--       3.371                 33.281                 12.139
 ROA3   Fr= 1--    -241.589               -175.263                 57.965
 CID3   Fr= 1--     -71.667                 -5.266                  4.775
 RC180  Fr= 1--       0.668                 -0.597                 -0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05  -0.00    -0.01  -0.02   0.00     0.06  -0.05   0.00
     2   6    -0.06   0.07  -0.01    -0.04   0.03  -0.00     0.11  -0.08   0.01
     3   6     0.02  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.01  -0.00
     4   6    -0.06   0.01   0.00     0.12   0.05  -0.02    -0.04  -0.05   0.01
     5   6    -0.01   0.00   0.00    -0.01  -0.05   0.01    -0.01   0.04  -0.01
     6   6     0.03  -0.04   0.00     0.00  -0.04   0.01     0.00   0.05  -0.01
     7   6     0.04  -0.04   0.00     0.00   0.03  -0.00    -0.00   0.03  -0.01
     8   1     0.32  -0.16   0.02    -0.29   0.15  -0.02    -0.14   0.07  -0.00
     9   1     0.14   0.10  -0.03    -0.32  -0.25   0.06    -0.05   0.02   0.00
    10   1     0.26  -0.16   0.01     0.14  -0.12   0.01    -0.18   0.16  -0.02
    11   6     0.05   0.00  -0.02    -0.05  -0.02   0.05    -0.00   0.01  -0.02
    12   6    -0.02  -0.02   0.01     0.01   0.04  -0.02     0.01  -0.01   0.01
    13   6    -0.00   0.00   0.02     0.00  -0.00  -0.06     0.01  -0.01   0.01
    14   1     0.19   0.04  -0.05    -0.39  -0.13   0.09     0.17   0.07  -0.01
    15   1     0.03   0.01   0.04     0.00  -0.00  -0.13    -0.02  -0.01   0.05
    16   1    -0.01   0.01   0.05     0.00  -0.05  -0.01     0.01   0.02  -0.03
    17   1     0.04   0.01  -0.05    -0.01  -0.04   0.08    -0.02   0.02  -0.01
    18   8    -0.01  -0.01  -0.00     0.02   0.01   0.00    -0.00   0.00  -0.00
    19   8     0.01   0.00  -0.01    -0.02  -0.01   0.02     0.00   0.00  -0.00
    20   1     0.02  -0.02  -0.06    -0.04   0.04   0.16     0.00  -0.00  -0.04
    21   6    -0.03  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    22   6    -0.05   0.02  -0.00    -0.07   0.01   0.00    -0.01  -0.01   0.00
    23   6     0.01  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.02   0.00
    24   8     0.01   0.04  -0.01     0.02   0.04  -0.01    -0.08   0.04  -0.00
    25   6     0.04  -0.05   0.01     0.03  -0.05   0.01     0.13  -0.05   0.00
    26   1     0.45  -0.26   0.01    -0.13   0.10  -0.01    -0.06   0.07  -0.01
    27   1    -0.18  -0.10   0.03     0.15   0.10  -0.03    -0.09  -0.04   0.01
    28   1     0.36  -0.18   0.01     0.38  -0.20   0.01    -0.24   0.09   0.00
    29   1    -0.16  -0.05   0.06    -0.15  -0.04   0.06    -0.37  -0.09   0.13
    30   1     0.14   0.30  -0.06     0.13   0.29  -0.06     0.30   0.55  -0.12
    31   1    -0.17  -0.07  -0.02    -0.15  -0.06  -0.02    -0.38  -0.12  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1246.8011              1294.8685              1298.1125
 Red. masses --      2.0031                 2.0937                 1.4499
 Frc consts  --      1.8346                 2.0683                 1.4395
 IR Inten    --    139.8618               121.8660               137.6017
 RamAct Fr= 1--      8.7661                 9.6242                 9.3689
  Dep-P Fr= 1--      0.2932                 0.3145                 0.7492
  Dep-U Fr= 1--      0.4534                 0.4785                 0.8566
 Alpha2 Fr= 1--      0.0918                 0.0945                 0.0001
 Beta2  Fr= 1--      0.6624                 0.7676                 1.3376
 AlphaG Fr= 1--      0.0223                 0.0329                -0.0015
 Gamma2 Fr= 1--      1.0561                 5.8561                -4.8407
 Delta2 Fr= 1--      1.4403                -0.9216                -2.3048
 Raman1 Fr= 1--      35.064                 38.497                 37.476
 ROA1   Fr= 1--     147.471                532.690               -538.462
 CID1   Fr= 1--       4.206                 13.837                -14.368
 Raman2 Fr= 1--       7.949                  9.211                 16.051
 ROA2   Fr= 1--      13.823                147.918                -97.739
 CID2   Fr= 1--       1.739                 16.059                 -6.089
 Raman3 Fr= 1--      15.898                 18.422                 32.101
 ROA3   Fr= 1--     147.471                532.690               -538.462
 CID3   Fr= 1--       9.276                 28.916                -16.774
 RC180  Fr= 1--      -0.093                 -0.043                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.10   0.01     0.05   0.04  -0.01     0.02  -0.03   0.01
     2   6    -0.01  -0.00   0.00     0.15   0.01  -0.01    -0.05   0.00   0.00
     3   6    -0.02   0.04  -0.01    -0.06  -0.01   0.01     0.01   0.00  -0.00
     4   6    -0.07  -0.09   0.02    -0.01  -0.00  -0.00    -0.04  -0.01   0.00
     5   6     0.01   0.01  -0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
     6   6    -0.00   0.03  -0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
     7   6     0.01   0.06  -0.01    -0.01   0.02  -0.00     0.01  -0.01   0.00
     8   1    -0.43   0.25  -0.02     0.00  -0.04   0.01    -0.05   0.04   0.00
     9   1     0.10   0.07  -0.02    -0.30  -0.15   0.04     0.13   0.06  -0.03
    10   1     0.28  -0.12   0.00     0.04  -0.04   0.00     0.07  -0.02   0.00
    11   6    -0.05   0.00  -0.02     0.06   0.03   0.03     0.01   0.03   0.05
    12   6     0.03  -0.01   0.01    -0.01  -0.03  -0.01     0.01  -0.05  -0.00
    13   6     0.02  -0.03   0.00    -0.02   0.04   0.03    -0.02   0.05   0.07
    14   1     0.45   0.20   0.02    -0.27  -0.19  -0.28     0.02  -0.15  -0.56
    15   1    -0.06  -0.02   0.06     0.04   0.02   0.06    -0.02  -0.01   0.14
    16   1     0.02   0.02  -0.08    -0.01   0.06   0.03     0.02   0.11  -0.05
    17   1    -0.05   0.03   0.01     0.03   0.01  -0.08    -0.01   0.06  -0.12
    18   8    -0.01   0.01   0.00     0.02   0.00  -0.01     0.04   0.01  -0.02
    19   8     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.01  -0.04  -0.07
    20   1     0.02  -0.03  -0.13    -0.07   0.11   0.34    -0.12   0.19   0.59
    21   6    -0.01   0.04  -0.01    -0.02   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.11  -0.04   0.02    -0.14  -0.09   0.03     0.05   0.03  -0.01
    23   6    -0.05   0.06  -0.01    -0.08   0.02   0.00     0.02  -0.01  -0.00
    24   8     0.10   0.02  -0.01     0.10   0.03  -0.01    -0.03  -0.01   0.00
    25   6    -0.05  -0.03   0.01    -0.04  -0.04   0.01     0.01   0.01  -0.00
    26   1    -0.07   0.11  -0.02     0.46  -0.23   0.01    -0.25   0.13  -0.00
    27   1    -0.16  -0.05   0.02     0.07   0.07  -0.02    -0.10  -0.06   0.02
    28   1     0.39  -0.17   0.00    -0.34   0.15  -0.00     0.18  -0.09   0.00
    29   1     0.14   0.03  -0.03     0.10   0.03  -0.01    -0.03  -0.02   0.00
    30   1    -0.05  -0.05   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    31   1     0.14   0.04  -0.00     0.10   0.03  -0.02    -0.03  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1302.9977              1323.5338              1335.9201
 Red. masses --      1.9947                 2.1191                 1.7739
 Frc consts  --      1.9953                 2.1872                 1.8653
 IR Inten    --     37.1455                18.8266               142.0692
 RamAct Fr= 1--      0.4676                23.4493                 4.8904
  Dep-P Fr= 1--      0.6757                 0.1823                 0.7237
  Dep-U Fr= 1--      0.8065                 0.3083                 0.8397
 Alpha2 Fr= 1--      0.0006                 0.3336                 0.0022
 Beta2  Fr= 1--      0.0629                 1.2051                 0.6844
 AlphaG Fr= 1--      0.0016                 0.1971                -0.0327
 Gamma2 Fr= 1--      0.1206                -0.2100                 2.9585
 Delta2 Fr= 1--      0.0754                 0.1912                 1.8054
 Raman1 Fr= 1--       1.871                 93.797                 19.562
 ROA1   Fr= 1--      13.992                -14.045                341.790
 CID1   Fr= 1--       7.480                 -0.150                 17.473
 Raman2 Fr= 1--       0.754                 14.461                  8.213
 ROA2   Fr= 1--       2.292                 -6.570                 56.562
 CID2   Fr= 1--       3.039                 -0.454                  6.887
 Raman3 Fr= 1--       1.509                 28.921                 16.425
 ROA3   Fr= 1--      13.992                -14.045                341.790
 CID3   Fr= 1--       9.275                 -0.486                 20.809
 RC180  Fr= 1--       0.613                 -0.383                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.11   0.03     0.11  -0.06   0.00     0.01  -0.00  -0.00
     2   6    -0.02  -0.16   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.00
     3   6     0.04   0.05  -0.01    -0.04  -0.03   0.01    -0.01   0.01  -0.00
     4   6    -0.02   0.02  -0.00    -0.14   0.04   0.00    -0.01  -0.01   0.02
     5   6     0.03   0.01  -0.01    -0.01  -0.02   0.01     0.00  -0.00  -0.00
     6   6     0.00   0.06  -0.01     0.02   0.02  -0.01     0.00   0.01  -0.00
     7   6    -0.01   0.09  -0.02     0.03  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.61  -0.24   0.01     0.07  -0.10   0.02    -0.01   0.01   0.02
     9   1    -0.09  -0.05   0.02    -0.00  -0.01   0.00     0.02   0.01   0.02
    10   1    -0.43   0.29  -0.02     0.12  -0.03  -0.00     0.04  -0.02   0.00
    11   6     0.02   0.00  -0.00     0.20   0.03  -0.01     0.02  -0.07  -0.15
    12   6    -0.01  -0.00   0.00    -0.06   0.01   0.00    -0.03   0.06   0.03
    13   6    -0.00   0.01   0.01    -0.02   0.01  -0.05     0.00   0.03   0.16
    14   1    -0.05  -0.03  -0.02    -0.59  -0.22   0.12    -0.08   0.16   0.72
    15   1     0.02   0.00  -0.01     0.19   0.07  -0.07     0.02  -0.01  -0.20
    16   1    -0.01   0.02   0.00    -0.05  -0.00   0.12    -0.03  -0.16  -0.01
    17   1     0.01   0.01  -0.02     0.15  -0.08  -0.02     0.06  -0.06   0.11
    18   8     0.00  -0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.01  -0.03  -0.08
    20   1    -0.01   0.01   0.04     0.05  -0.07  -0.22    -0.09   0.15   0.51
    21   6     0.02  -0.02   0.00     0.00   0.04  -0.01     0.00   0.00  -0.00
    22   6    -0.10  -0.03   0.01     0.01   0.03  -0.01     0.00   0.00  -0.00
    23   6     0.04   0.06  -0.01    -0.04  -0.01   0.00    -0.01   0.00  -0.00
    24   8     0.05   0.01  -0.01    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.07   0.13  -0.02    -0.36   0.20  -0.01    -0.02   0.01   0.00
    27   1     0.17   0.08  -0.03    -0.29  -0.14   0.05    -0.03  -0.01   0.01
    28   1     0.32  -0.09  -0.01     0.15  -0.11   0.01     0.04  -0.02   0.00
    29   1     0.07   0.03  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    30   1     0.01   0.07  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.07   0.03  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.9836              1400.3482              1415.3191
 Red. masses --      1.8695                 5.0267                 1.2170
 Frc consts  --      2.1159                 5.8077                 1.4363
 IR Inten    --      7.4996                 0.5549                10.8150
 RamAct Fr= 1--      1.9332               464.0550                 2.1224
  Dep-P Fr= 1--      0.1418                 0.2162                 0.0872
  Dep-U Fr= 1--      0.2483                 0.3555                 0.1603
 Alpha2 Fr= 1--      0.0305                 6.0351                 0.0383
 Beta2  Fr= 1--      0.0800                27.4966                 0.0567
 AlphaG Fr= 1--     -0.0124                -0.4728                -0.0285
 Gamma2 Fr= 1--     -0.4759                 0.6442                -0.2674
 Delta2 Fr= 1--     -0.3360                 2.6777                -0.1468
 Raman1 Fr= 1--       7.733               1856.220                  8.490
 ROA1   Fr= 1--     -56.435                147.535                -30.372
 CID1   Fr= 1--      -7.298                  0.079                 -3.578
 Raman2 Fr= 1--       0.960                329.959                  0.681
 ROA2   Fr= 1--      -8.733                 -5.960                 -5.244
 CID2   Fr= 1--      -9.096                 -0.018                 -7.705
 Raman3 Fr= 1--       1.920                659.918                  1.361
 ROA3   Fr= 1--     -56.435                147.535                -30.372
 CID3   Fr= 1--     -29.392                  0.224                -22.312
 RC180  Fr= 1--      -0.503                 -0.289                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.01     0.14   0.25  -0.06    -0.01  -0.01   0.00
     2   6     0.08   0.01  -0.01    -0.09  -0.22   0.05     0.01   0.00  -0.00
     3   6    -0.06  -0.04   0.01    -0.19   0.11  -0.01     0.01   0.00   0.00
     4   6     0.01   0.09  -0.02     0.09  -0.20   0.03    -0.01   0.00   0.00
     5   6     0.00   0.04  -0.01     0.22   0.09  -0.03    -0.02  -0.01   0.00
     6   6     0.07  -0.07   0.01    -0.20   0.05   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.07   0.01    -0.01  -0.09   0.02     0.00   0.00  -0.00
     8   1     0.13  -0.15   0.02     0.10  -0.03  -0.00     0.02  -0.01  -0.01
     9   1    -0.42  -0.21   0.07    -0.15  -0.16   0.04     0.03   0.03  -0.01
    10   1    -0.36   0.15  -0.00    -0.02  -0.06   0.01     0.01   0.00  -0.00
    11   6    -0.06  -0.03   0.01     0.00   0.02   0.00     0.01  -0.00  -0.01
    12   6     0.02  -0.00   0.00     0.01  -0.00  -0.02     0.04   0.02  -0.13
    13   6     0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.01
    14   1     0.40   0.12  -0.04    -0.34  -0.10   0.03    -0.02  -0.00   0.04
    15   1    -0.06  -0.03   0.01    -0.01   0.02   0.06    -0.23   0.12   0.45
    16   1     0.01  -0.02  -0.02     0.01   0.04   0.10     0.07  -0.05   0.59
    17   1    -0.04   0.02  -0.00    -0.07  -0.03   0.07    -0.33  -0.24   0.43
    18   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
    20   1    -0.01   0.01   0.02    -0.00   0.00  -0.02    -0.00   0.01   0.02
    21   6     0.02   0.01  -0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.13  -0.02     0.04   0.07  -0.01    -0.00   0.00   0.00
    23   6    -0.09  -0.05   0.02     0.02   0.03  -0.01    -0.00  -0.00   0.00
    24   8     0.02  -0.03   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    26   1    -0.25   0.08   0.00     0.23  -0.23   0.02    -0.02   0.01  -0.00
    27   1    -0.34  -0.22   0.06    -0.16  -0.12   0.03    -0.01  -0.01   0.00
    28   1     0.17  -0.19   0.02     0.47  -0.21   0.01    -0.01   0.00   0.00
    29   1     0.08   0.01  -0.03     0.01  -0.01  -0.01     0.01   0.00  -0.00
    30   1    -0.02   0.01  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    31   1     0.08   0.01   0.01     0.01  -0.01   0.02     0.01   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1426.8675              1456.9537              1476.1770
 Red. masses --      3.5392                 3.5786                 1.2342
 Frc consts  --      4.2454                 4.4757                 1.5846
 IR Inten    --     78.2201                12.0604                 7.4485
 RamAct Fr= 1--    252.1775               143.5575                 8.0034
  Dep-P Fr= 1--      0.2192                 0.2285                 0.6806
  Dep-U Fr= 1--      0.3596                 0.3719                 0.8100
 Alpha2 Fr= 1--      3.2528                 1.8059                 0.0098
 Beta2  Fr= 1--     15.1144                 8.8990                 1.0804
 AlphaG Fr= 1--     -0.1811                -0.3941                -0.0037
 Gamma2 Fr= 1--     -2.2737                -2.3349                 0.6891
 Delta2 Fr= 1--      0.6869                -0.0102                 0.4179
 Raman1 Fr= 1--    1008.710                574.230                 32.014
 ROA1   Fr= 1--    -196.290               -224.472                 79.529
 CID1   Fr= 1--      -0.195                 -0.391                  2.484
 Raman2 Fr= 1--     181.373                106.788                 12.965
 ROA2   Fr= 1--     -60.063                -55.955                 13.196
 CID2   Fr= 1--      -0.331                 -0.524                  1.018
 Raman3 Fr= 1--     362.745                213.575                 25.930
 ROA3   Fr= 1--    -196.290               -224.472                 79.529
 CID3   Fr= 1--      -0.541                 -1.051                  3.067
 RC180  Fr= 1--      -0.281                 -0.256                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.14   0.03     0.18  -0.01  -0.01    -0.02  -0.00   0.00
     2   6     0.08   0.15  -0.03    -0.17   0.02   0.01     0.01   0.02  -0.00
     3   6    -0.08   0.07  -0.01    -0.11  -0.05   0.02    -0.01   0.02  -0.00
     4   6     0.06   0.02  -0.01    -0.04   0.20  -0.03     0.03   0.00  -0.00
     5   6     0.10   0.01  -0.01     0.12  -0.05   0.00     0.00  -0.02   0.00
     6   6    -0.11  -0.05   0.02    -0.08  -0.00   0.01    -0.04   0.01   0.00
     7   6    -0.15   0.01   0.01     0.13  -0.00  -0.01     0.00  -0.03   0.00
     8   1     0.53  -0.25   0.01     0.26  -0.26   0.03     0.10  -0.04   0.00
     9   1    -0.18  -0.18   0.04    -0.19  -0.25   0.06     0.08   0.03  -0.01
    10   1     0.27  -0.26   0.03     0.07  -0.10   0.01     0.13  -0.07   0.00
    11   6    -0.03  -0.01   0.01    -0.02  -0.05   0.01    -0.01  -0.00   0.00
    12   6     0.01  -0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02     0.00  -0.00  -0.00
    14   1     0.09   0.03  -0.01     0.38   0.10  -0.03    -0.00  -0.00   0.00
    15   1    -0.04  -0.02  -0.02    -0.07  -0.01   0.03    -0.03  -0.03  -0.04
    16   1     0.01   0.02   0.01     0.01  -0.06   0.04     0.00  -0.00   0.02
    17   1    -0.06   0.03  -0.00    -0.02  -0.00   0.02    -0.03   0.04  -0.03
    18   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.02    -0.01   0.02   0.01    -0.00  -0.00   0.00
    21   6     0.17   0.08  -0.03    -0.15   0.04   0.00     0.04   0.03  -0.01
    22   6     0.12  -0.17   0.02    -0.02  -0.14   0.03     0.01  -0.02   0.00
    23   6    -0.14   0.11  -0.01     0.14   0.00  -0.01     0.03  -0.01   0.00
    24   8    -0.06   0.01   0.00     0.01   0.04  -0.01    -0.03  -0.02   0.01
    25   6     0.05   0.03  -0.01     0.03  -0.01   0.00    -0.05  -0.08   0.02
    26   1    -0.07  -0.05   0.01    -0.11   0.15  -0.02    -0.13   0.04   0.00
    27   1    -0.12  -0.11   0.03     0.10   0.23  -0.05    -0.12  -0.07   0.02
    28   1     0.20  -0.05  -0.00    -0.35   0.27  -0.02    -0.14   0.08  -0.00
    29   1    -0.19  -0.12   0.00    -0.11   0.07   0.07     0.38   0.36   0.07
    30   1    -0.01  -0.15   0.03    -0.00  -0.10   0.02     0.13   0.54  -0.11
    31   1    -0.19  -0.11   0.07    -0.12   0.04  -0.08     0.35   0.30  -0.24
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.4741              1493.1481              1497.1000
 Red. masses --      1.0479                 1.0461                 1.0559
 Frc consts  --      1.3753                 1.3741                 1.3944
 IR Inten    --      8.7035                 8.7877                 7.1797
 RamAct Fr= 1--      6.0390                10.3538                 4.9127
  Dep-P Fr= 1--      0.7484                 0.7494                 0.7249
  Dep-U Fr= 1--      0.8561                 0.8568                 0.8405
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0021
 Beta2  Fr= 1--      0.8617                 1.4785                 0.6882
 AlphaG Fr= 1--     -0.0004                -0.0071                 0.0391
 Gamma2 Fr= 1--      0.2983                -0.0097                 0.4183
 Delta2 Fr= 1--     -0.5705                 0.0430                 1.7593
 Raman1 Fr= 1--      24.156                 41.415                 19.651
 ROA1   Fr= 1--      10.384                  0.446                 96.450
 CID1   Fr= 1--       0.430                  0.011                  4.908
 Raman2 Fr= 1--      10.340                 17.742                  8.259
 ROA2   Fr= 1--      11.725                 -0.577                 -4.036
 CID2   Fr= 1--       1.134                 -0.033                 -0.489
 Raman3 Fr= 1--      20.681                 35.484                 16.517
 ROA3   Fr= 1--      10.384                  0.446                 96.450
 CID3   Fr= 1--       0.502                  0.013                  5.839
 RC180  Fr= 1--       0.712                  0.714                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
     9   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.04  -0.02   0.01
    10   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.01   0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.03   0.03  -0.02     0.00  -0.00   0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    14   1     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.04   0.02   0.04
    15   1     0.03   0.21   0.46     0.00  -0.00  -0.00     0.62   0.23   0.06
    16   1    -0.05  -0.37  -0.34     0.00   0.00   0.00    -0.02   0.60  -0.17
    17   1     0.57  -0.39   0.11    -0.00   0.00  -0.00    -0.12  -0.23   0.30
    18   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.06    -0.00  -0.01   0.00
    26   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    28   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00   0.01  -0.00
    29   1     0.02   0.03   0.01    -0.48  -0.00   0.11     0.01   0.04   0.02
    30   1     0.01   0.04  -0.00     0.05   0.13   0.71     0.00   0.02  -0.00
    31   1     0.03   0.02  -0.02     0.48   0.03   0.03     0.01   0.03  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.0519              1524.8817              1547.2556
 Red. masses --      1.0655                 2.3850                 3.6146
 Frc consts  --      1.4240                 3.2675                 5.0984
 IR Inten    --     38.8858                59.9367                26.0772
 RamAct Fr= 1--      3.2163               133.1611                 2.7612
  Dep-P Fr= 1--      0.6466                 0.2433                 0.2705
  Dep-U Fr= 1--      0.7853                 0.3914                 0.4258
 Alpha2 Fr= 1--      0.0060                 1.6080                 0.0309
 Beta2  Fr= 1--      0.4210                 8.6859                 0.1960
 AlphaG Fr= 1--     -0.0008                -0.1249                -0.0405
 Gamma2 Fr= 1--      0.0140                -0.5359                -0.6010
 Delta2 Fr= 1--     -0.1195                 0.2250                 0.2378
 Raman1 Fr= 1--      12.865                532.644                 11.045
 ROA1   Fr= 1--      -2.476                -44.243                -50.086
 CID1   Fr= 1--      -0.192                 -0.083                 -4.535
 Raman2 Fr= 1--       5.052                104.231                  2.352
 ROA2   Fr= 1--       1.292                -14.661                -16.326
 CID2   Fr= 1--       0.256                 -0.141                 -6.942
 Raman3 Fr= 1--      10.104                208.463                  4.703
 ROA3   Fr= 1--      -2.476                -44.243                -50.086
 CID3   Fr= 1--      -0.245                 -0.212                -10.649
 RC180  Fr= 1--       0.571                 -0.217                 -0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.10  -0.04   0.00     0.10  -0.05   0.00
     2   6     0.00  -0.00   0.00    -0.08   0.04  -0.00     0.14  -0.09   0.01
     3   6     0.01   0.01  -0.00     0.05  -0.05   0.01    -0.08  -0.03   0.01
     4   6     0.00  -0.02   0.00    -0.12   0.02   0.01     0.08   0.17  -0.04
     5   6    -0.01   0.01  -0.00     0.07   0.07  -0.02    -0.08  -0.15   0.03
     6   6     0.01  -0.01   0.00     0.07  -0.07   0.01    -0.12   0.14  -0.02
     7   6     0.00  -0.01   0.00    -0.11   0.09  -0.01    -0.08   0.10  -0.01
     8   1    -0.02   0.02  -0.00    -0.20   0.07   0.00     0.20  -0.19   0.02
     9   1    -0.01   0.01  -0.00    -0.32  -0.16   0.05     0.37   0.11  -0.05
    10   1    -0.04   0.02  -0.00    -0.29   0.11   0.00     0.44  -0.14  -0.00
    11   6     0.00   0.00  -0.00     0.03  -0.00  -0.00    -0.03  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.03  -0.01   0.00     0.03   0.00  -0.00     0.16   0.04  -0.02
    15   1    -0.02  -0.01  -0.00    -0.08  -0.04  -0.03     0.04   0.02   0.01
    16   1     0.00  -0.02   0.01     0.01  -0.04   0.08    -0.00   0.03  -0.04
    17   1     0.00   0.01  -0.01    -0.05   0.05  -0.03     0.01  -0.03   0.02
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00   0.01   0.00
    21   6     0.01   0.01  -0.00    -0.05  -0.09   0.02    -0.06  -0.13   0.03
    22   6    -0.01   0.00   0.00     0.16   0.01  -0.01     0.05   0.18  -0.04
    23   6    -0.01   0.00  -0.00    -0.06   0.04  -0.00    -0.08  -0.05   0.01
    24   8     0.02  -0.01   0.00    -0.06  -0.02   0.01     0.00  -0.03   0.00
    25   6     0.04  -0.03   0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    26   1    -0.02   0.00   0.00     0.38  -0.17   0.00     0.33  -0.11  -0.00
    27   1    -0.04  -0.03   0.01     0.34   0.15  -0.05     0.24   0.05  -0.03
    28   1     0.04  -0.02   0.00     0.24  -0.10   0.00     0.17  -0.18   0.02
    29   1    -0.25   0.51   0.31     0.17   0.20   0.05    -0.01   0.12   0.05
    30   1    -0.08  -0.36   0.07     0.05   0.24  -0.05    -0.03  -0.07   0.01
    31   1    -0.31   0.38  -0.43     0.15   0.16  -0.14    -0.02   0.09  -0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1615.2904              1651.6100              1672.3923
 Red. masses --      6.9900                 5.5257                 6.1270
 Frc consts  --     10.7455                 8.8808                10.0966
 IR Inten    --      5.2068                84.5677                86.9774
 RamAct Fr= 1--     44.3804                 9.0364               185.9562
  Dep-P Fr= 1--      0.2599                 0.4493                 0.4385
  Dep-U Fr= 1--      0.4126                 0.6201                 0.6097
 Alpha2 Fr= 1--      0.5115                 0.0555                 1.1931
 Beta2  Fr= 1--      3.0521                 0.9339                18.8954
 AlphaG Fr= 1--      0.1667                -0.0121                -0.2471
 Gamma2 Fr= 1--     -0.3193                 0.4893                -1.2929
 Delta2 Fr= 1--      0.3857                -0.4524                -0.8441
 Raman1 Fr= 1--     177.522                 36.146                743.825
 ROA1   Fr= 1--     -18.309                 32.495               -151.130
 CID1   Fr= 1--      -0.103                  0.899                 -0.203
 Raman2 Fr= 1--      36.626                 11.206                226.745
 ROA2   Fr= 1--     -10.748                 15.362                -24.276
 CID2   Fr= 1--      -0.293                  1.371                 -0.107
 Raman3 Fr= 1--      73.251                 22.413                453.489
 ROA3   Fr= 1--     -18.309                 32.495               -151.130
 CID3   Fr= 1--      -0.250                  1.450                 -0.333
 RC180  Fr= 1--      -0.175                  0.240                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.27   0.05    -0.06   0.01   0.00    -0.24   0.09   0.00
     2   6     0.09   0.27  -0.06     0.02  -0.02   0.00     0.23  -0.08  -0.00
     3   6    -0.08   0.17  -0.03     0.22  -0.15   0.01     0.18  -0.09   0.00
     4   6     0.01  -0.23   0.04    -0.19   0.13  -0.01    -0.11   0.06  -0.00
     5   6     0.18   0.13  -0.04     0.23   0.03  -0.02     0.16   0.02  -0.01
     6   6    -0.13  -0.08   0.02    -0.23   0.05   0.01    -0.20   0.07   0.00
     7   6     0.14   0.08  -0.02    -0.20   0.03   0.01     0.27  -0.08  -0.00
     8   1     0.32  -0.03  -0.02    -0.36   0.14   0.00    -0.27   0.14  -0.01
     9   1    -0.21  -0.12   0.03    -0.22  -0.26   0.06    -0.11  -0.15   0.03
    10   1     0.07  -0.19   0.03     0.17  -0.18   0.02     0.22  -0.16   0.01
    11   6     0.01   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1    -0.17  -0.04   0.02     0.12   0.02  -0.01     0.05   0.01  -0.00
    15   1    -0.01   0.00   0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.02  -0.00     0.00  -0.00   0.03     0.00   0.00   0.01
    17   1     0.02  -0.00  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    18   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.01  -0.02     0.01  -0.00  -0.02
    21   6    -0.20  -0.15   0.04     0.22   0.02  -0.02    -0.22  -0.01   0.02
    22   6    -0.03   0.27  -0.05    -0.17   0.13  -0.01     0.14  -0.10   0.01
    23   6     0.09  -0.20   0.03     0.15  -0.12   0.01    -0.20   0.12  -0.01
    24   8     0.03  -0.02   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    25   6    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.04   0.19  -0.03     0.12  -0.16   0.02    -0.28   0.22  -0.02
    27   1     0.19   0.11  -0.03    -0.19  -0.26   0.06     0.13   0.23  -0.05
    28   1    -0.36   0.02   0.02    -0.26   0.07   0.00     0.31  -0.14   0.00
    29   1     0.01   0.00  -0.00    -0.06  -0.04  -0.01     0.04   0.05   0.02
    30   1    -0.03  -0.05   0.01    -0.02  -0.09   0.02     0.01   0.05  -0.01
    31   1     0.01   0.00   0.00    -0.05  -0.03   0.04     0.03   0.04  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.7563              3011.0945              3013.7568
 Red. masses --     10.4395                 1.0345                 1.0813
 Frc consts  --     20.7281                 5.5264                 5.7867
 IR Inten    --    408.7640                47.6301                10.7406
 RamAct Fr= 1--     24.3380               188.3992                88.8473
  Dep-P Fr= 1--      0.3028                 0.0527                 0.1466
  Dep-U Fr= 1--      0.4648                 0.1002                 0.2557
 Alpha2 Fr= 1--      0.2476                 3.6973                 1.3855
 Beta2  Fr= 1--      1.8854                 3.1460                 3.7857
 AlphaG Fr= 1--     -0.8560                -0.0724                -0.2693
 Gamma2 Fr= 1--     -3.0587                 0.5001                -3.5017
 Delta2 Fr= 1--     -0.0202                 0.2273                -2.1429
 Raman1 Fr= 1--      97.352                753.597                355.389
 ROA1   Fr= 1--    -294.285                 55.288               -404.738
 CID1   Fr= 1--      -3.023                  0.073                 -1.139
 Raman2 Fr= 1--      22.625                 37.752                 45.428
 ROA2   Fr= 1--     -73.248                 10.185                -66.897
 CID2   Fr= 1--      -3.238                  0.270                 -1.473
 Raman3 Fr= 1--      45.250                 75.503                 90.856
 ROA3   Fr= 1--    -294.285                 55.288               -404.738
 CID3   Fr= 1--      -6.504                  0.732                 -4.455
 RC180  Fr= 1--      -0.070                 -0.800                 -0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.07   0.02
    12   6     0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    13   6     0.63   0.37  -0.12    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.01  -0.04    -0.01   0.02  -0.01    -0.33   0.89  -0.27
    15   1     0.01   0.03   0.03     0.00  -0.00   0.00     0.03  -0.08   0.03
    16   1     0.03   0.05   0.04    -0.00   0.00  -0.00     0.01   0.00   0.00
    17   1    -0.07  -0.03   0.09    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    18   8    -0.40  -0.23   0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.03  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   1    -0.06   0.14   0.42     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.05  -0.01     0.00  -0.00   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.17  -0.25   0.60    -0.00   0.01  -0.02
    30   1    -0.00  -0.00   0.00    -0.28   0.09   0.00     0.01  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.09  -0.45  -0.49    -0.00   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.6222              3067.6384              3114.0768
 Red. masses --      1.0349                 1.1058                 1.1027
 Frc consts  --      5.6744                 6.1309                 6.3004
 IR Inten    --     16.4755                33.0668                15.9485
 RamAct Fr= 1--    163.1661                43.9270                35.4987
  Dep-P Fr= 1--      0.0219                 0.7499                 0.6482
  Dep-U Fr= 1--      0.0429                 0.8571                 0.7866
 Alpha2 Fr= 1--      3.4443                 0.0001                 0.0650
 Beta2  Fr= 1--      1.1678                 6.2747                 4.6537
 AlphaG Fr= 1--     -0.2053                -0.0544                 0.0234
 Gamma2 Fr= 1--      1.3983                -0.7909                -5.3669
 Delta2 Fr= 1--      3.4586                -0.3807                -1.6462
 Raman1 Fr= 1--     652.664                175.708                141.995
 ROA1   Fr= 1--     244.912                -88.114               -567.899
 CID1   Fr= 1--       0.375                 -0.501                 -3.999
 Raman2 Fr= 1--      14.014                 75.296                 55.844
 ROA2   Fr= 1--       5.891                -15.937               -115.636
 CID2   Fr= 1--       0.420                 -0.212                 -2.071
 Raman3 Fr= 1--      28.028                150.593                111.688
 ROA3   Fr= 1--     244.912                -88.114               -567.899
 CID3   Fr= 1--       8.738                 -0.585                 -5.085
 RC180  Fr= 1--      -0.914                  0.714                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.01   0.05     0.00   0.00  -0.00     0.00  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.08  -0.03
    15   1    -0.20   0.56  -0.19     0.00  -0.00   0.00    -0.23   0.63  -0.24
    16   1     0.47  -0.01  -0.02    -0.00   0.00   0.00    -0.04  -0.02  -0.00
    17   1    -0.24  -0.45  -0.37     0.00   0.00   0.00     0.27   0.48   0.41
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.09     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    28   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00     0.19  -0.28   0.62    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.11   0.48   0.50    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3133.1339              3140.1729              3157.1065
 Red. masses --      1.1020                 1.0993                 1.0898
 Frc consts  --      6.3738                 6.3867                 6.3997
 IR Inten    --     17.1214                22.8754                 6.6750
 RamAct Fr= 1--    155.4249               177.9779                46.6810
  Dep-P Fr= 1--      0.4959                 0.4029                 0.2642
  Dep-U Fr= 1--      0.6630                 0.5744                 0.4180
 Alpha2 Fr= 1--      0.7823                 1.3047                 0.5315
 Beta2  Fr= 1--     17.1743                17.0382                 3.2518
 AlphaG Fr= 1--      0.5705                -0.0194                -0.2486
 Gamma2 Fr= 1--      6.1677                -0.4508                 0.5205
 Delta2 Fr= 1--     -1.4195                 0.0781                 1.0722
 Raman1 Fr= 1--     621.700                711.912                186.724
 ROA1   Fr= 1--     546.680                -40.780                 84.278
 CID1   Fr= 1--       0.879                 -0.057                  0.451
 Raman2 Fr= 1--     206.091                204.458                 39.022
 ROA2   Fr= 1--     159.382                -11.445                  3.915
 CID2   Fr= 1--       0.773                 -0.056                  0.100
 Raman3 Fr= 1--     412.183                408.916                 78.044
 ROA3   Fr= 1--     546.680                -40.780                 84.278
 CID3   Fr= 1--       1.326                 -0.100                  1.080
 RC180  Fr= 1--       0.326                  0.149                 -0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.45   0.86  -0.19
     9   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.04  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.08  -0.26   0.09    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88  -0.02  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.00
    17   1     0.12   0.26   0.21    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.08   0.04  -0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
    27   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00   0.00   0.00
    29   1     0.00  -0.00   0.00     0.04  -0.06   0.18     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.92  -0.27  -0.01    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00     0.02  -0.12  -0.15     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3161.5794              3174.9084              3179.2345
 Red. masses --      1.0863                 1.0882                 1.0945
 Frc consts  --      6.3977                 6.4631                 6.5180
 IR Inten    --      4.9885                 6.3767                14.4098
 RamAct Fr= 1--     71.3744                67.4764               170.2217
  Dep-P Fr= 1--      0.6680                 0.5567                 0.1674
  Dep-U Fr= 1--      0.8010                 0.7152                 0.2868
 Alpha2 Fr= 1--      0.1039                 0.2483                 2.5168
 Beta2  Fr= 1--      9.5283                 8.0433                 8.1380
 AlphaG Fr= 1--      0.0604                -0.0056                 0.2239
 Gamma2 Fr= 1--      1.6523                 0.3188                -0.1739
 Delta2 Fr= 1--      0.5425                 0.2048                -0.5863
 Raman1 Fr= 1--     285.498                269.906                680.887
 ROA1   Fr= 1--     175.986                 37.158                -35.456
 CID1   Fr= 1--       0.616                  0.138                 -0.052
 Raman2 Fr= 1--     114.339                 96.519                 97.655
 ROA2   Fr= 1--      35.316                  6.012                  0.516
 CID2   Fr= 1--       0.309                  0.062                  0.005
 Raman3 Fr= 1--     228.679                193.038                195.311
 ROA3   Fr= 1--     175.986                 37.158                -35.456
 CID3   Fr= 1--       0.770                  0.192                 -0.182
 RC180  Fr= 1--       0.602                  0.430                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.03  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.05   0.01
     6   6     0.02   0.05  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.01
     7   6     0.00   0.00  -0.00    -0.04  -0.07   0.02     0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00     0.04   0.07  -0.02    -0.02  -0.04   0.01
     9   1    -0.41   0.65  -0.09    -0.01   0.02  -0.00    -0.33   0.52  -0.07
    10   1    -0.28  -0.54   0.12     0.01   0.02  -0.00     0.36   0.67  -0.15
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.00     0.43   0.81  -0.18    -0.01  -0.02   0.00
    27   1    -0.00   0.00  -0.00     0.18  -0.28   0.04    -0.01   0.01  -0.00
    28   1     0.01   0.02  -0.00     0.01   0.02  -0.00    -0.02  -0.04   0.01
    29   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.3067              3206.0031              3715.3566
 Red. masses --      1.0939                 1.0892                 1.0650
 Frc consts  --      6.6013                 6.5963                 8.6619
 IR Inten    --      4.7939                 8.9580               134.5524
 RamAct Fr= 1--    196.4165                86.3479               128.7685
  Dep-P Fr= 1--      0.2139                 0.2584                 0.2194
  Dep-U Fr= 1--      0.3524                 0.4106                 0.3599
 Alpha2 Fr= 1--      2.5704                 0.9995                 1.6602
 Beta2  Fr= 1--     11.5357                 5.9098                 7.7230
 AlphaG Fr= 1--     -0.0052                -0.0011                -2.3214
 Gamma2 Fr= 1--      0.1486                -0.0734               -23.2386
 Delta2 Fr= 1--      0.5233                -0.0322                 0.9671
 Raman1 Fr= 1--     785.666                345.392                515.074
 ROA1   Fr= 1--      31.010                 -8.076              -2199.963
 CID1   Fr= 1--       0.039                 -0.023                 -4.271
 Raman2 Fr= 1--     138.429                 70.917                 92.677
 ROA2   Fr= 1--      -0.620                 -1.504               -565.464
 CID2   Fr= 1--      -0.004                 -0.021                 -6.101
 Raman3 Fr= 1--     276.857                141.835                185.353
 ROA3   Fr= 1--      31.010                 -8.076              -2199.963
 CID3   Fr= 1--       0.112                 -0.057                -11.869
 RC180  Fr= 1--      -0.295                 -0.179                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00     0.02   0.05  -0.01     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.03   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.89   0.45  -0.02
    21   6     0.05  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.04  -0.08   0.02     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.16   0.28  -0.06    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   1    -0.52   0.78  -0.10    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01   0.00     0.45   0.86  -0.19     0.00   0.00  -0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00    -0.00   0.01   0.02    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.007688565.053429014.99569
           X            0.99993   0.00039  -0.01150
           Y           -0.00077   0.99945  -0.03303
           Z            0.01148   0.03303   0.99939
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06359     0.01011     0.00961
 Rotational constants (GHZ):           1.32506     0.21071     0.20019
 Zero-point vibrational energy     657833.2 (Joules/Mol)
                                  157.22591 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     30.12    44.58    66.74   130.44   174.33
          (Kelvin)            207.38   262.16   270.99   314.24   332.36
                              372.80   412.80   477.38   516.40   576.87
                              596.47   669.91   693.32   699.45   733.35
                              768.12   777.40   831.97   869.30   915.15
                              990.82   999.58  1063.53  1119.84  1129.57
                             1180.38  1199.57  1208.91  1246.18  1267.75
                             1334.25  1363.88  1383.34  1394.61  1413.22
                             1480.52  1527.51  1570.54  1581.08  1657.07
                             1689.08  1691.43  1697.13  1718.83  1725.13
                             1758.37  1793.87  1863.03  1867.69  1874.72
                             1904.27  1922.09  1994.12  2014.79  2036.33
                             2052.94  2096.23  2123.89  2147.34  2148.31
                             2153.99  2166.87  2193.96  2226.16  2324.04
                             2376.30  2406.20  2641.24  4332.29  4336.12
                             4389.16  4413.65  4480.46  4507.88  4518.01
                             4542.37  4548.81  4567.99  4574.21  4604.53
                             4612.72  5345.57
 
 Zero-point correction=                           0.250555 (Hartree/Particle)
 Thermal correction to Energy=                    0.265801
 Thermal correction to Enthalpy=                  0.266745
 Thermal correction to Gibbs Free Energy=         0.206535
 Sum of electronic and zero-point Energies=           -767.721876
 Sum of electronic and thermal Energies=              -767.706630
 Sum of electronic and thermal Enthalpies=            -767.705686
 Sum of electronic and thermal Free Energies=         -767.765896
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.793             58.690            126.722
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.019
 Vibrational            165.015             52.728             51.501
 Vibration     1          0.593              1.986              6.544
 Vibration     2          0.594              1.984              5.766
 Vibration     3          0.595              1.979              4.966
 Vibration     4          0.602              1.956              3.646
 Vibration     5          0.609              1.932              3.082
 Vibration     6          0.616              1.909              2.748
 Vibration     7          0.630              1.864              2.306
 Vibration     8          0.633              1.856              2.244
 Vibration     9          0.646              1.813              1.972
 Vibration    10          0.653              1.794              1.871
 Vibration    11          0.668              1.747              1.668
 Vibration    12          0.684              1.698              1.492
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.734              1.557              1.127
 Vibration    15          0.767              1.468              0.959
 Vibration    16          0.778              1.439              0.911
 Vibration    17          0.823              1.326              0.750
 Vibration    18          0.838              1.290              0.705
 Vibration    19          0.842              1.281              0.694
 Vibration    20          0.865              1.228              0.634
 Vibration    21          0.889              1.175              0.579
 Vibration    22          0.895              1.161              0.565
 Vibration    23          0.935              1.078              0.489
 Vibration    24          0.963              1.023              0.443
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.100089D-94        -94.999612       -218.744691
 Total V=0       0.176923D+21         20.247783         46.622244
 Vib (Bot)       0.198743-109       -109.701708       -252.597518
 Vib (Bot)    1  0.989514D+01          0.995422          2.292044
 Vib (Bot)    2  0.668240D+01          0.824933          1.899477
 Vib (Bot)    3  0.445830D+01          0.649170          1.494768
 Vib (Bot)    4  0.226757D+01          0.355560          0.818708
 Vib (Bot)    5  0.168618D+01          0.226905          0.522467
 Vib (Bot)    6  0.140915D+01          0.148957          0.342986
 Vib (Bot)    7  0.110147D+01          0.041973          0.096646
 Vib (Bot)    8  0.106325D+01          0.026637          0.061333
 Vib (Bot)    9  0.906260D+00         -0.042747         -0.098429
 Vib (Bot)   10  0.852239D+00         -0.069439         -0.159888
 Vib (Bot)   11  0.749938D+00         -0.124975         -0.287765
 Vib (Bot)   12  0.667639D+00         -0.175459         -0.404008
 Vib (Bot)   13  0.562518D+00         -0.249863         -0.575332
 Vib (Bot)   14  0.511049D+00         -0.291537         -0.671289
 Vib (Bot)   15  0.444234D+00         -0.352388         -0.811403
 Vib (Bot)   16  0.425296D+00         -0.371309         -0.854970
 Vib (Bot)   17  0.363603D+00         -0.439372         -1.011691
 Vib (Bot)   18  0.346509D+00         -0.460286         -1.059848
 Vib (Bot)   19  0.342211D+00         -0.465706         -1.072327
 Vib (Bot)   20  0.319660D+00         -0.495311         -1.140496
 Vib (Bot)   21  0.298484D+00         -0.525079         -1.209040
 Vib (Bot)   22  0.293137D+00         -0.532930         -1.227116
 Vib (Bot)   23  0.263988D+00         -0.578416         -1.331852
 Vib (Bot)   24  0.246073D+00         -0.608936         -1.402126
 Vib (V=0)       0.351308D+06          5.545687         12.769417
 Vib (V=0)    1  0.104078D+02          1.017357          2.342552
 Vib (V=0)    2  0.720108D+01          0.857398          1.974231
 Vib (V=0)    3  0.498625D+01          0.697774          1.606685
 Vib (V=0)    4  0.282204D+01          0.450563          1.037460
 Vib (V=0)    5  0.225875D+01          0.353869          0.814813
 Vib (V=0)    6  0.199523D+01          0.299992          0.690757
 Vib (V=0)    7  0.170964D+01          0.232906          0.536285
 Vib (V=0)    8  0.167495D+01          0.224002          0.515783
 Vib (V=0)    9  0.153504D+01          0.186120          0.428556
 Vib (V=0)   10  0.148808D+01          0.172628          0.397490
 Vib (V=0)   11  0.140134D+01          0.146542          0.337426
 Vib (V=0)   12  0.133411D+01          0.125192          0.288265
 Vib (V=0)   13  0.125261D+01          0.097817          0.225232
 Vib (V=0)   14  0.121496D+01          0.084563          0.194713
 Vib (V=0)   15  0.116884D+01          0.067754          0.156010
 Vib (V=0)   16  0.115641D+01          0.063113          0.145322
 Vib (V=0)   17  0.111823D+01          0.048531          0.111746
 Vib (V=0)   18  0.110833D+01          0.044670          0.102856
 Vib (V=0)   19  0.110589D+01          0.043714          0.100655
 Vib (V=0)   20  0.109345D+01          0.038799          0.089338
 Vib (V=0)   21  0.108232D+01          0.034354          0.079104
 Vib (V=0)   22  0.107959D+01          0.033260          0.076585
 Vib (V=0)   23  0.106541D+01          0.027517          0.063361
 Vib (V=0)   24  0.105727D+01          0.024187          0.055692
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.367099D+07          6.564783         15.115972
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2211111110000                             866655544444444333322221111110000999998888877766665555444443322221111    
     1            0077654316511                             3751420999752108320994299877599628664286432873983074318861053853188429432
     5            6095270348141                             6225756732677506643857295064292292918716040589596480406265192791882411611
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX  XX     X   X XXXX    X    X      X           X                      
     X                                                      XXX  X      X   X  XXX         X                                         
     X                                                      XXX         X   X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  X X                                                   
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
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                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002741    0.000003986   -0.000001464
      2        6          -0.000006029    0.000000575    0.000000669
      3        6           0.000006321    0.000003576    0.000003242
      4        6           0.000004593   -0.000009776   -0.000000919
      5        6          -0.000004242    0.000000805    0.000001953
      6        6           0.000006877    0.000000063   -0.000000546
      7        6           0.000006975   -0.000003671   -0.000000612
      8        1          -0.000000070   -0.000001242   -0.000001156
      9        1           0.000001020    0.000000742   -0.000001219
     10        1          -0.000001695    0.000000871   -0.000000588
     11        6          -0.000016424   -0.000003783    0.000013757
     12        6          -0.000008382   -0.000000266   -0.000015311
     13        6           0.000035952    0.000008978   -0.000031247
     14        1           0.000000527    0.000002278   -0.000002293
     15        1           0.000005772   -0.000000656    0.000003258
     16        1           0.000000724    0.000001247   -0.000005115
     17        1           0.000003755   -0.000000511   -0.000000968
     18        8          -0.000021143   -0.000009846    0.000008178
     19        8          -0.000012453    0.000004106    0.000027311
     20        1          -0.000000330    0.000000848   -0.000003207
     21        6           0.000001932   -0.000006432    0.000002697
     22        6          -0.000016271    0.000012808    0.000004250
     23        6           0.000022271   -0.000010195   -0.000000666
     24        8           0.000017930    0.000017841   -0.000011625
     25        6          -0.000032317   -0.000031672    0.000012631
     26        1          -0.000001233    0.000000018    0.000000455
     27        1           0.000000094    0.000001054    0.000000761
     28        1           0.000007847    0.000004028   -0.000001140
     29        1           0.000000629    0.000005584   -0.000002903
     30        1           0.000001229    0.000001491    0.000001260
     31        1          -0.000001116    0.000007152    0.000000561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035952 RMS     0.000010061
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.286417D+03 -0.110920D+02 -0.983504D+01
      2  -0.110920D+02  0.173651D+03 -0.813452D+01
      3  -0.983504D+01 -0.813452D+01  0.119661D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.957958D+01  0.196710D+02 -0.145160D+02
      2  -0.237228D+02 -0.123644D+02 -0.271736D+02
      3   0.488962D+02 -0.570189D+02  0.194452D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.303145D+03 -0.928508D+02 -0.135803D+02
      2  -0.134319D+03  0.750303D+02 -0.129829D+02
      3  -0.168826D+03  0.178205D+02  0.265633D+02
      4  -0.187275D+02  0.115282D+03 -0.404092D+02
      5   0.480126D+02 -0.485892D+02 -0.581093D+02
      6  -0.227766D+02  0.403364D+02  0.246551D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.354473D+02  0.718343D+01  0.703434D+00 -0.367313D+02  0.113915D+02
      2   0.718343D+01 -0.333715D+01  0.876258D-01  0.113915D+02 -0.112245D+02
      3   0.703434D+00  0.876258D-01  0.430144D-01  0.917867D-01  0.122625D+01
                 6             7             8             9            10 
      1   0.917867D-01  0.922827D+01 -0.284223D+01 -0.821761D+00  0.436493D+02
      2   0.122625D+01 -0.284223D+01  0.187355D+01 -0.120972D+01 -0.941581D+01
      3   0.148226D+00 -0.821761D+00 -0.120972D+01  0.591238D+00 -0.971716D+00
                11            12            13            14            15 
      1  -0.941581D+01 -0.971716D+00  0.344569D+02 -0.101958D+02  0.118808D+00
      2   0.688730D+01 -0.724927D+00 -0.101958D+02  0.917610D+01 -0.919825D+00
      3  -0.724927D+00 -0.261567D+00  0.118808D+00 -0.919825D+00 -0.557892D-01
                16            17            18            19            20 
      1  -0.908155D+01  0.286570D+01  0.154447D+01  0.315209D+02 -0.715281D+01
      2   0.286570D+01 -0.188459D+01  0.922934D+00 -0.715281D+01  0.512712D+01
      3   0.154447D+01  0.922934D+00 -0.363478D+00 -0.415940D+00 -0.630814D+00
                21            22            23            24            25 
      1  -0.415940D+00 -0.218685D+02  0.383465D+01 -0.606455D-01  0.261476D+01
      2  -0.630814D+00  0.383465D+01 -0.546304D+01 -0.109345D+00 -0.717247D+00
      3   0.189117D+00 -0.606455D-01 -0.109345D+00 -0.175797D+01 -0.988485D+00
                26            27            28            29            30 
      1  -0.717247D+00 -0.988485D+00 -0.397296D+02  0.581676D+01  0.720672D+00
      2  -0.385060D+00 -0.271908D+01  0.581676D+01 -0.289480D+01 -0.259963D+00
      3  -0.271908D+01  0.164567D+01  0.720672D+00 -0.259963D+00 -0.206995D+01
                31            32            33            34            35 
      1   0.133021D+02 -0.158990D+01 -0.129617D+01 -0.346941D+01 -0.763059D+00
      2  -0.158990D+01  0.983929D+01 -0.145460D+01 -0.763059D+00 -0.101495D+01
      3  -0.129617D+01 -0.145460D+01  0.513500D+00 -0.567840D+01  0.117567D+01
                36            37            38            39            40 
      1  -0.567840D+01 -0.364566D+01 -0.713812D+00  0.812266D-01  0.788394D+01
      2   0.117567D+01 -0.713812D+00 -0.896222D+01  0.147120D+01 -0.207318D+01
      3   0.422749D+00  0.812266D-01  0.147120D+01 -0.210425D+01 -0.551287D+00
                41            42            43            44            45 
      1  -0.207318D+01 -0.551287D+00 -0.152933D+01 -0.398323D+00 -0.456632D+01
      2  -0.209983D+01  0.137833D+01 -0.398323D+00  0.232876D+01  0.296497D+01
      3   0.137833D+01  0.127335D+01 -0.456632D+01  0.296497D+01 -0.783001D+00
                46            47            48            49            50 
      1   0.877927D+01 -0.191777D+01  0.176236D+00  0.944789D-01 -0.111047D+01
      2  -0.191777D+01  0.701450D+01 -0.485179D+00 -0.111047D+01 -0.281393D+00
      3   0.176236D+00 -0.485179D+00  0.197739D+01  0.498359D+00  0.104645D+01
                51            52            53            54            55 
      1   0.498359D+00 -0.338537D+00  0.786311D+00  0.122240D+01 -0.130909D+02
      2   0.104645D+01  0.786311D+00  0.106887D+01  0.345325D+01  0.349366D+01
      3   0.884007D+00  0.122240D+01  0.345325D+01 -0.176995D+01  0.207831D-01
                56            57            58            59            60 
      1   0.349366D+01  0.207831D-01  0.407128D+01 -0.409229D+00 -0.665051D+00
      2  -0.959081D+01  0.102468D+01 -0.409229D+00  0.195612D+01 -0.120449D+01
      3   0.102468D+01 -0.186227D+01 -0.665051D+00 -0.120449D+01 -0.966980D+00
                61            62            63            64            65 
      1  -0.215928D+00 -0.799659D+00 -0.153374D+01 -0.257560D+01 -0.249823D+01
      2  -0.799659D+00 -0.933967D+00 -0.305633D+01 -0.249823D+01 -0.141531D+01
      3  -0.153374D+01 -0.305633D+01  0.180827D+01  0.475269D+00  0.298446D+00
                66            67            68            69            70 
      1   0.475269D+00 -0.338736D+01 -0.285051D+01  0.737150D+00  0.627136D+00
      2   0.298446D+00 -0.285051D+01 -0.504989D+01  0.967626D+00  0.656904D+00
      3  -0.489981D+00  0.737150D+00  0.967626D+00 -0.103251D+01 -0.301776D+00
                71            72            73            74            75 
      1   0.656904D+00 -0.301776D+00 -0.466323D+01  0.321590D+01 -0.254275D+00
      2   0.957820D+00 -0.412016D+00  0.321590D+01 -0.340178D+01  0.340982D+00
      3  -0.412016D+00  0.253614D+00 -0.254275D+00  0.340982D+00 -0.416920D+00
                76            77            78            79            80 
      1   0.343905D+01 -0.454923D+01  0.699814D+00 -0.342908D+00  0.789009D+00
      2  -0.454923D+01  0.789723D+01 -0.923079D+00  0.789009D+00 -0.123562D+01
      3   0.699814D+00 -0.923079D+00  0.907891D+00  0.306725D+00  0.394912D+00
                81            82            83            84            85 
      1   0.306725D+00  0.186912D+01  0.221708D+01 -0.487784D+00  0.109954D+01
      2   0.394912D+00  0.221708D+01  0.316080D+01 -0.618340D+00  0.250143D+01
      3  -0.257291D+00 -0.487784D+00 -0.618340D+00  0.512372D+00 -0.458205D+00
                86            87            88            89            90 
      1   0.250143D+01 -0.458205D+00 -0.330113D+00 -0.579272D+00  0.206163D+00
      2   0.891498D+01 -0.155990D+01 -0.579272D+00 -0.185192D+01  0.543466D+00
      3  -0.155990D+01  0.115730D+01  0.206163D+00  0.543466D+00 -0.327297D+00
                91            92            93            94            95 
      1   0.126774D+02 -0.158063D+01  0.341835D+00  0.369146D+01  0.125018D+01
      2  -0.158063D+01  0.157100D+01  0.749949D+00  0.125018D+01 -0.355174D+01
      3   0.341835D+00  0.749949D+00  0.302624D+01  0.408692D+00  0.190694D+01
                96            97            98            99           100 
      1   0.408692D+00 -0.255849D+01  0.112987D+01  0.745287D+01  0.836311D+01
      2   0.190694D+01  0.112987D+01  0.184269D+01  0.102744D+00 -0.600710D+00
      3   0.129372D+01  0.745287D+01  0.102744D+00 -0.170379D+01 -0.160382D+01
               101           102           103           104           105 
      1  -0.600710D+00 -0.160382D+01 -0.198459D+01 -0.170434D+01 -0.404366D-01
      2  -0.169804D+01 -0.503209D+00 -0.170434D+01  0.143643D+01 -0.346370D+01
      3  -0.503209D+00 -0.244334D+01 -0.404366D-01 -0.346370D+01 -0.152840D+01
               106           107           108           109           110 
      1   0.509374D+01 -0.793148D+00 -0.507953D+01  0.552624D+01  0.301639D+01
      2  -0.793148D+00 -0.253202D+01 -0.790910D+00  0.301639D+01  0.102129D+01
      3  -0.507953D+01 -0.790910D+00  0.254750D+01 -0.153645D+01 -0.350256D+00
               111           112           113           114           115 
      1  -0.153645D+01  0.765663D+00  0.112158D+01 -0.933090D+00 -0.577213D+01
      2  -0.350256D+00  0.112158D+01  0.550466D+00 -0.947600D+00 -0.944163D+00
      3  -0.714895D+00 -0.933090D+00 -0.947600D+00 -0.408035D+00 -0.333215D+01
               116           117           118           119           120 
      1  -0.944163D+00 -0.333215D+01 -0.660255D+00  0.212384D+01 -0.743829D+00
      2  -0.144536D+01 -0.113544D+00  0.212384D+01 -0.184674D+01  0.534513D-01
      3  -0.113544D+00 -0.255646D+00 -0.743829D+00  0.534513D-01 -0.114287D+01
               121           122           123           124           125 
      1   0.397192D+01 -0.224798D+01  0.222408D+00 -0.127349D+01  0.163301D+00
      2  -0.224798D+01  0.596861D+01 -0.103337D+01  0.163301D+00 -0.132853D+01
      3   0.222408D+00 -0.103337D+01  0.135994D+01 -0.148821D+01  0.110081D+01
               126           127           128           129           130 
      1  -0.148821D+01 -0.170033D+00 -0.735401D+00  0.365881D+00 -0.189837D+01
      2   0.110081D+01 -0.735401D+00  0.748028D+00 -0.278753D+00  0.998715D-01
      3  -0.525707D+00  0.365881D+00 -0.278753D+00  0.110604D+01  0.514707D+00
               131           132           133           134           135 
      1   0.998715D-01  0.514707D+00  0.417509D+00  0.910955D-01  0.171130D+00
      2  -0.407318D+01  0.218976D+01  0.910955D-01  0.153806D+01 -0.130477D+01
      3   0.218976D+01 -0.256626D+01  0.171130D+00 -0.130477D+01  0.180437D+01
               136           137           138           139           140 
      1  -0.144952D+02  0.728140D+00  0.342787D+01  0.453106D+00 -0.125216D+01
      2   0.728140D+00 -0.851967D+00 -0.246177D+00 -0.125216D+01  0.631215D-01
      3   0.342787D+01 -0.246177D+00 -0.230408D+01 -0.231440D+00  0.718695D+00
               141           142           143           144           145 
      1  -0.231440D+00  0.143421D+01  0.447859D-01 -0.134375D+01 -0.136688D-01
      2   0.718695D+00  0.447859D-01  0.158679D+00  0.143574D+00  0.873882D+00
      3   0.218616D+00 -0.134375D+01  0.143574D+00  0.373791D+00  0.820572D+00
               146           147           148           149           150 
      1   0.873882D+00  0.820572D+00  0.146977D+01  0.231234D+00 -0.254067D+00
      2   0.100117D+01  0.754637D+00  0.231234D+00  0.314175D+01  0.282653D+01
      3   0.754637D+00  0.186810D+01 -0.254067D+00  0.282653D+01  0.347976D+01
               151           152           153           154           155 
      1   0.288907D+00  0.320237D-01  0.307748D+00 -0.165843D+02 -0.431715D+01
      2   0.320237D-01  0.209444D+01  0.243267D+01 -0.431715D+01 -0.254081D+01
      3   0.307748D+00  0.243267D+01  0.457083D+01  0.614642D+00 -0.216451D+00
               156           157           158           159           160 
      1   0.614642D+00 -0.693634D+01 -0.517422D+01  0.347220D+00  0.687402D+00
      2  -0.216451D+00 -0.517422D+01 -0.396165D+01  0.343795D+00  0.351720D+00
      3  -0.259074D+01  0.347220D+00  0.343795D+00 -0.128253D+01 -0.240121D+01
               161           162           163           164           165 
      1   0.351720D+00 -0.240121D+01 -0.909900D+01 -0.232730D+01 -0.273763D+01
      2   0.887309D+00 -0.109615D+01 -0.232730D+01 -0.266340D+00  0.171494D-01
      3  -0.109615D+01  0.135559D+01 -0.273763D+01  0.171494D-01 -0.998229D+00
               166           167           168           169           170 
      1  -0.503134D+01 -0.626285D+00 -0.762968D+00 -0.240284D+00  0.372971D-01
      2  -0.626285D+00 -0.718163D+00 -0.166225D+01  0.372971D-01 -0.445396D+00
      3  -0.762968D+00 -0.166225D+01 -0.175467D+01 -0.671468D+00 -0.105543D+01
               171           172           173           174           175 
      1  -0.671468D+00  0.867897D+01  0.195342D+01  0.100452D+01  0.568652D+01
      2  -0.105543D+01  0.195342D+01  0.641812D+00  0.276599D+00  0.769292D+00
      3  -0.670901D+01  0.100452D+01  0.276599D+00  0.229284D+01  0.931640D+00
               176           177           178           179           180 
      1   0.769292D+00  0.931640D+00  0.342565D+01  0.449308D+00  0.158003D+01
      2   0.328842D+00 -0.449345D+00  0.449308D+00 -0.815072D+00  0.475900D+00
      3  -0.449345D+00  0.124795D+01  0.158003D+01  0.475900D+00 -0.938103D+00
               181           182           183           184           185 
      1   0.109001D+02 -0.674731D-01 -0.327667D+00 -0.707393D+01  0.227500D+01
      2  -0.674731D-01  0.998548D+01 -0.180513D+01  0.227500D+01  0.386422D+01
      3  -0.327667D+00 -0.180513D+01  0.208748D+01  0.665223D+00 -0.175962D+01
               186           187           188           189           190 
      1   0.665223D+00  0.106658D+01  0.202357D+00  0.408479D+01  0.351572D+02
      2  -0.175962D+01  0.202357D+00 -0.273060D+01 -0.278567D+01 -0.612231D+01
      3  -0.118309D+01  0.408479D+01 -0.278567D+01  0.712636D+00 -0.408358D+00
               191           192           193           194           195 
      1  -0.612231D+01 -0.408358D+00 -0.206455D+02  0.218760D+01  0.202720D+01
      2   0.511485D+01 -0.697878D-01  0.218760D+01 -0.142714D+02  0.204759D+01
      3  -0.697878D-01  0.319250D+01  0.202720D+01  0.204759D+01 -0.135083D+01
               196           197           198           199           200 
      1   0.223836D+01  0.103090D+01  0.593669D+01 -0.362081D+02  0.850990D+01
      2   0.103090D+01  0.161833D+01 -0.211823D+01  0.850990D+01 -0.858243D+01
      3   0.593669D+01 -0.211823D+01 -0.140523D+00  0.766147D+00  0.135082D+01
               201           202           203           204           205 
      1   0.766147D+00  0.237448D+02 -0.354502D+01 -0.658210D+00 -0.181337D+01
      2   0.135082D+01 -0.354502D+01  0.705326D+01 -0.196415D-01  0.344490D+00
      3  -0.411604D-01 -0.658210D+00 -0.196415D-01  0.230141D+01  0.194795D+00
               206           207           208           209           210 
      1   0.344490D+00  0.194795D+00 -0.878192D+01  0.394912D+00  0.393622D+00
      2   0.662941D+00  0.325223D+01  0.394912D+00 -0.182873D+01  0.248081D+00
      3   0.325223D+01 -0.178396D+01  0.393622D+00  0.248081D+00 -0.201183D+00
               211           212           213           214           215 
      1  -0.601065D+00  0.143656D+01 -0.654964D-01  0.753806D+00 -0.216030D+00
      2   0.143656D+01 -0.213326D+01  0.368215D+00 -0.216030D+00  0.327214D+00
      3  -0.654964D-01  0.368215D+00  0.868019D+00  0.463137D+00 -0.593968D+00
               216           217           218           219           220 
      1   0.463137D+00 -0.263070D+01  0.203921D+01 -0.232632D+00  0.416114D+01
      2  -0.593968D+00  0.203921D+01  0.195465D+01 -0.579814D+00 -0.113719D+01
      3  -0.630520D-01 -0.232632D+00 -0.579814D+00  0.131071D+01 -0.669932D+00
               221           222           223           224           225 
      1  -0.113719D+01 -0.669932D+00 -0.752468D+00 -0.460797D+00 -0.993343D+00
      2   0.390998D-02 -0.166738D+01 -0.460797D+00 -0.154810D+01 -0.328542D+01
      3  -0.166738D+01 -0.511950D+01 -0.993343D+00 -0.328542D+01  0.238447D+01
               226           227           228           229           230 
      1  -0.155232D+01 -0.180738D+01  0.419149D+00 -0.679815D+00 -0.196102D+01
      2  -0.180738D+01 -0.320342D+01  0.618315D+00 -0.196102D+01 -0.862210D+01
      3   0.419149D+00  0.618315D+00 -0.487485D+00  0.391218D+00  0.150202D+01
               231           232           233           234           235 
      1   0.391218D+00  0.273860D+00  0.523033D+00  0.737933D-01  0.487362D+01
      2   0.150202D+01  0.523033D+00  0.170857D+01 -0.642894D+00 -0.378913D+01
      3  -0.115692D+01  0.737933D-01 -0.642894D+00  0.350497D+00  0.372539D+00
               236           237           238           239           240 
      1  -0.378913D+01  0.372539D+00 -0.426488D+01  0.525743D+01 -0.803801D+00
      2   0.397218D+01 -0.384508D+00  0.525743D+01 -0.808874D+01  0.938364D+00
      3  -0.384508D+00  0.584972D+00 -0.803801D+00  0.938364D+00 -0.100593D+01
               241           242           243           244           245 
      1   0.478917D+00 -0.835302D+00 -0.113321D+00  0.284988D+01  0.262184D+01
      2  -0.835302D+00  0.119320D+01 -0.475666D+00  0.262184D+01  0.140540D+01
      3  -0.113321D+00 -0.475666D+00  0.316801D+00 -0.638902D+00 -0.371430D+00
               246           247           248           249           250 
      1  -0.638902D+00  0.400676D+01  0.304097D+01 -0.747586D+00 -0.930533D+00
      2  -0.371430D+00  0.304097D+01  0.517587D+01 -0.102472D+01 -0.722812D+00
      3   0.371705D+00 -0.747586D+00 -0.102472D+01  0.868291D+00  0.303416D+00
               251           252           253           254           255 
      1  -0.722812D+00  0.303416D+00 -0.785951D+00 -0.320216D+00 -0.693751D+00
      2  -0.111251D+01  0.195809D+00 -0.320216D+00 -0.224479D+00  0.857301D-01
      3   0.195809D+00 -0.192154D+00 -0.693751D+00  0.857301D-01 -0.102241D+01
               256           257           258           259           260 
      1   0.408847D+00  0.118934D+01 -0.775589D+00 -0.322040D+01 -0.116756D+01
      2   0.118934D+01  0.148776D+01 -0.150300D+01 -0.116756D+01 -0.137515D+01
      3  -0.775589D+00 -0.150300D+01  0.231022D+01  0.229933D+01  0.207054D+01
               261           262           263           264           265 
      1   0.229933D+01  0.152507D+02 -0.107900D+01 -0.658392D+00 -0.352724D+01
      2   0.207054D+01 -0.107900D+01  0.100485D+01  0.107024D+00  0.149940D+01
      3  -0.634831D+01 -0.658392D+00  0.107024D+00  0.113608D+01  0.259400D+00
               266           267           268           269           270 
      1   0.149940D+01  0.259400D+00 -0.192778D+00  0.110364D+00  0.163709D+01
      2  -0.854448D+00  0.693964D-01  0.110364D+00  0.146467D+00  0.112552D+00
      3   0.693964D-01 -0.145557D+00  0.163709D+01  0.112552D+00 -0.337265D+00
               271           272           273           274           275 
      1   0.379707D-01  0.256775D+00  0.100676D+01  0.192285D+01  0.234054D+01
      2   0.256775D+00  0.346057D-01  0.400548D-01  0.234054D+01  0.353539D+01
      3   0.100676D+01  0.400548D-01 -0.547223D+00  0.106035D+01  0.217192D+01
               276           277           278           279 
      1   0.106035D+01  0.343263D+01  0.163114D+01  0.152891D+01
      2   0.217192D+01  0.163114D+01  0.223194D+01  0.231776D+01
      3   0.248276D+01  0.152891D+01  0.231776D+01  0.336050D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311543D+01  0.175160D+01 -0.687781D+00  0.349300D+01 -0.166398D+01
      2   0.683558D+01  0.281529D+01 -0.656408D+00  0.781328D+01 -0.456413D+01
      3   0.746495D+01  0.199843D+02 -0.424362D+01  0.249286D+02 -0.198282D+02
                 6             7             8             9            10 
      1   0.426476D+00 -0.486404D+01  0.851467D+01 -0.146517D+01 -0.489807D+00
      2   0.227752D+01 -0.193158D+02  0.283115D+01  0.330359D+00 -0.427151D+01
      3   0.196809D+01 -0.129365D+01  0.136991D+01  0.592373D+00  0.287477D+02
                11            12            13            14            15 
      1   0.285610D+01 -0.112775D+01 -0.102060D+01  0.969320D+00  0.810693D+00
      2   0.369193D+01 -0.544312D+01 -0.236447D+00 -0.362805D+01  0.744765D+00
      3   0.157305D+02 -0.372775D+01  0.471931D+02 -0.315667D+02  0.298960D+01
                16            17            18            19            20 
      1  -0.510473D+01  0.831519D+01 -0.142210D+01 -0.359603D+01 -0.368108D+00
      2  -0.169505D+02  0.283384D+01  0.118135D+01 -0.789830D+01 -0.253105D+01
      3  -0.684327D+01  0.383158D+01  0.539609D+00 -0.409125D+01 -0.219034D+02
                21            22            23            24            25 
      1   0.482520D+00 -0.627896D-01 -0.524164D-01 -0.134261D+01 -0.677690D+01
      2   0.658515D+00  0.776494D+00  0.176445D+01  0.682806D+00 -0.175905D+02
      3   0.434998D+01 -0.281792D+01  0.559483D+01 -0.162875D+01  0.524764D+01
                26            27            28            29            30 
      1   0.425252D+01 -0.972972D+00  0.430733D+00  0.127008D+01  0.319422D+00
      2   0.771994D+01 -0.829572D+00  0.387235D+01  0.128113D+01  0.924243D+00
      3  -0.198338D+01 -0.894934D+00 -0.190828D+02  0.939140D+01 -0.859214D+00
                31            32            33            34            35 
      1   0.432966D+01  0.345255D+01  0.107285D+01  0.293213D+01  0.114021D+02
      2   0.271859D+00  0.209845D+00  0.681936D+00 -0.109938D+02  0.103354D+01
      3   0.266401D+02 -0.281598D+01 -0.186627D+01 -0.194035D+01 -0.224241D+01
                36            37            38            39            40 
      1  -0.203912D+01  0.635550D+00 -0.216645D+00  0.517795D+01  0.161504D+01
      2   0.690919D+00 -0.204171D+01 -0.670771D+00  0.513007D+00 -0.217001D+01
      3  -0.227588D+01 -0.885578D+01 -0.149608D+01 -0.121894D+00  0.107461D+02
                41            42            43            44            45 
      1  -0.891217D+00 -0.248164D+01  0.154464D+02  0.160326D+01 -0.294761D+00
      2  -0.248725D+01 -0.157115D+01 -0.109840D+02 -0.597290D+01  0.241544D+01
      3  -0.491393D+01  0.167967D+00 -0.220646D+01  0.990513D+00 -0.492567D+01
                46            47            48            49            50 
      1  -0.992870D+00 -0.185037D+01 -0.486336D+01 -0.228577D+01  0.387776D+00
      2   0.191715D+01 -0.332663D+01  0.188390D+01 -0.404876D+01  0.447193D+01
      3   0.205044D+02 -0.233872D+02  0.356979D+01 -0.494777D+01  0.207167D+02
                51            52            53            54            55 
      1  -0.255164D+01 -0.108289D+02 -0.162188D+01  0.294872D+01  0.138029D+01
      2  -0.786770D+00 -0.148862D+02  0.213606D+01  0.827353D+00  0.590124D+01
      3  -0.257422D+01  0.319726D+01 -0.184057D+01  0.434626D+01  0.302461D+02
                56            57            58            59            60 
      1  -0.350961D+01 -0.488994D+01 -0.245909D+01  0.113071D+01 -0.198278D+01
      2  -0.340255D+01 -0.329123D+01 -0.542843D+01  0.292700D+01 -0.229569D+01
      3  -0.113353D+02  0.193538D+01 -0.550028D+01  0.197633D+02 -0.629037D+00
                61            62            63            64            65 
      1  -0.113795D+02 -0.141103D+01  0.199935D+01 -0.628865D+00 -0.491843D+00
      2  -0.187856D+02 -0.150869D+01  0.476280D+01  0.119195D+01  0.867628D+00
      3   0.440912D+01 -0.417184D+00  0.112340D+02  0.140472D+01  0.129776D+00
                66            67            68            69            70 
      1  -0.166591D+01 -0.531636D+00 -0.141618D+01 -0.285729D+01 -0.728214D+00
      2   0.621264D+00  0.126442D+01 -0.654966D-01  0.178393D+01 -0.226475D+01
      3   0.143150D+00  0.393573D+01 -0.512415D+01  0.697959D+00 -0.408714D-01
                71            72            73            74            75 
      1   0.221589D+01  0.160872D+00 -0.324748D+00  0.266240D+00  0.219902D+01
      2  -0.937234D+00  0.135102D+00 -0.782622D+00 -0.157660D-01  0.129125D+01
      3   0.885228D+00  0.438849D+00 -0.829294D+01  0.177459D+01 -0.495511D-01
                76            77            78            79            80 
      1  -0.118296D+01  0.850516D+00 -0.409823D+01 -0.273223D+01  0.144555D+01
      2  -0.411362D+00  0.651830D+00 -0.227529D+01 -0.176418D+01 -0.174108D+00
      3   0.400592D+01  0.121116D+01  0.396084D+00  0.442590D+00 -0.460185D+00
                81            82            83            84            85 
      1   0.505252D+00  0.753936D+00  0.484320D+00 -0.212030D+01  0.768101D+00
      2   0.488343D+00  0.104819D+01  0.516207D+00  0.105011D+01  0.733273D+00
      3   0.104840D+01  0.714868D+01  0.342293D+01 -0.118239D+01  0.531598D+01
                86            87            88            89            90 
      1   0.137434D+01 -0.456099D+01  0.117665D+01  0.185576D+01  0.457506D+00
      2   0.617156D+00  0.143954D+01 -0.887080D+00  0.385209D+00 -0.543451D+00
      3   0.357078D+01 -0.114092D+01 -0.138318D+01 -0.126111D+01 -0.393750D+00
                91            92            93            94            95 
      1   0.268589D+01  0.108977D+01 -0.179579D+01  0.490031D+01 -0.499337D+00
      2  -0.574146D+01 -0.197853D+01 -0.643011D+01 -0.265493D+01 -0.873921D+01
      3   0.101054D+02  0.324353D+00  0.254144D+01  0.200210D+02 -0.180209D+02
                96            97            98            99           100 
      1  -0.219853D+01 -0.268010D+01  0.538207D+01  0.127945D+01  0.129799D+01
      2  -0.309586D+01 -0.325601D+02 -0.392641D+00  0.380588D+01 -0.122506D+02
      3   0.782147D+01  0.120393D+00  0.110998D+02  0.818902D+01  0.709995D+00
               101           102           103           104           105 
      1  -0.600804D+01  0.615138D+00 -0.251606D+01  0.434099D+01 -0.113511D+02
      2   0.206409D+01  0.172470D+02 -0.379911D+00  0.184481D+02  0.627829D+01
      3  -0.134164D+02 -0.107054D+01 -0.804017D+01  0.812428D+01 -0.154389D+02
               106           107           108           109           110 
      1   0.310894D+01 -0.551853D+01 -0.514228D+01 -0.317661D+01  0.127178D+01
      2   0.158520D+02  0.326731D+01 -0.358561D+01  0.126686D+02  0.494250D+01
      3   0.511437D+01 -0.146026D+02 -0.775754D+01 -0.701921D+01  0.856984D+01
               111           112           113           114           115 
      1   0.953659D+01 -0.914337D+01 -0.699513D+01 -0.815162D+01  0.848823D+01
      2   0.207850D+01  0.616614D+01  0.416383D+01 -0.816428D+01  0.583471D+01
      3  -0.721555D+01  0.863549D+01  0.156138D+02 -0.261793D+01 -0.115782D+02
               116           117           118           119           120 
      1  -0.126395D+00  0.542437D+01  0.129832D+01 -0.109146D+01  0.105014D+01
      2  -0.206890D+01  0.432189D+01  0.301031D+01 -0.107990D+01  0.483793D+01
      3  -0.597656D+01 -0.429303D+01  0.876700D+01 -0.608309D+01 -0.181796D+00
               121           122           123           124           125 
      1  -0.131304D+01  0.246760D+01 -0.309918D+01  0.894999D+00 -0.465105D+00
      2  -0.157603D+01  0.498216D+01 -0.499228D+01  0.310590D+01 -0.366722D+01
      3  -0.124778D+01  0.209684D+02 -0.400402D+01 -0.958678D+00 -0.514181D+01
               126           127           128           129           130 
      1   0.779339D+00 -0.251671D+01  0.264375D+01 -0.820097D+00  0.105163D+01
      2   0.217684D+01 -0.279154D+01  0.309741D+01 -0.436890D+01  0.284365D+01
      3   0.257636D+01 -0.473646D+01  0.374691D+01 -0.143430D+01  0.345293D+01
               131           132           133           134           135 
      1  -0.110909D+02  0.340804D+01 -0.312033D+00  0.495267D+01 -0.294882D+01
      2  -0.997765D+01  0.894004D+01 -0.240374D+01  0.496780D+01 -0.700995D+01
      3  -0.173166D+02  0.914294D+01  0.430103D-01  0.594755D+01 -0.514988D+01
               136           137           138           139           140 
      1  -0.134096D+01 -0.242972D+01  0.813653D+00 -0.241459D+01 -0.746202D+00
      2   0.114268D+02 -0.132602D+00  0.692071D+01  0.244594D+00 -0.884069D+00
      3  -0.437543D+01 -0.577292D+01  0.701726D+00 -0.388232D+01 -0.723041D+00
               141           142           143           144           145 
      1   0.447420D+00  0.137821D-01  0.135269D+01  0.166679D+00  0.184798D+01
      2  -0.456387D+00  0.173405D+01  0.517582D-01  0.973877D+00 -0.518742D+01
      3   0.264063D+01 -0.524567D+00  0.259122D+01 -0.212601D+00  0.386921D+01
               146           147           148           149           150 
      1   0.303561D+01  0.203481D+00  0.186783D+01  0.608810D+01  0.260680D+01
      2  -0.455083D+01 -0.800747D+01 -0.294611D+01 -0.120458D+02 -0.129060D+02
      3   0.438547D+01  0.292968D+01  0.396636D+01  0.114935D+02  0.102141D+02
               151           152           153           154           155 
      1  -0.238189D+00  0.489069D+01  0.249818D+01  0.354511D+01  0.708900D+00
      2  -0.431116D+01 -0.973551D+01 -0.176436D+02 -0.114570D+02 -0.190187D+01
      3   0.951719D-01  0.759536D+01  0.912213D+01 -0.797237D+01 -0.204746D+02
               156           157           158           159           160 
      1  -0.584305D+01  0.645988D+01  0.432284D+01 -0.352273D+01 -0.347811D+01
      2   0.196261D+02 -0.125845D+01 -0.427662D+01  0.109880D+02  0.669751D+01
      3   0.244809D+00 -0.166875D+02 -0.223619D+02  0.591349D+00  0.277287D+01
               161           162           163           164           165 
      1   0.158463D+01  0.147268D+01  0.414318D+01  0.206063D+01 -0.274831D+01
      2   0.398418D+01 -0.852312D+01 -0.960065D+01 -0.429122D+01  0.222089D+01
      3   0.328002D+01 -0.304749D+01 -0.618178D+01 -0.392468D+01  0.123145D+01
               166           167           168           169           170 
      1   0.652600D+01  0.406496D+01  0.209831D+01 -0.245529D+00  0.696340D+01
      2  -0.803858D+01  0.506691D+01  0.726036D+01 -0.412170D+01  0.308202D+01
      3   0.342906D+00 -0.420716D+01 -0.832765D+01  0.309530D+01 -0.207157D+01
               171           172           173           174           175 
      1  -0.274262D+01 -0.637618D+01 -0.286567D+01  0.512356D+00 -0.748094D+01
      2   0.217506D+02  0.191336D+02  0.351157D+01 -0.584574D+01  0.788835D+01
      3  -0.360279D+01  0.213037D+01  0.231774D+01  0.150637D+01  0.715006D+01
               176           177           178           179           180 
      1  -0.246595D+01 -0.170979D+01 -0.321365D-01  0.305955D-01 -0.549405D+00
      2   0.318142D+01 -0.370390D+01 -0.230567D+01 -0.875984D+00  0.443029D+01
      3   0.100913D+01  0.373928D+00  0.142393D+01  0.592715D+00  0.732466D+00
               181           182           183           184           185 
      1  -0.199012D+00  0.192203D+01  0.504559D+01  0.256121D+01 -0.680192D+00
      2  -0.631085D+01 -0.254608D+01  0.612036D+01 -0.970923D+00 -0.708600D+01
      3  -0.270148D+02 -0.146286D+02  0.305061D+01 -0.859549D+01 -0.235477D+02
               186           187           188           189           190 
      1  -0.266284D+01  0.140444D+02  0.412829D+01 -0.227623D+01 -0.136456D+01
      2  -0.154174D+01 -0.325381D+01 -0.891614D+01  0.106863D+01 -0.462680D+01
      3   0.530868D+01  0.252061D+01  0.723544D+01 -0.239900D+01  0.848696D+01
               191           192           193           194           195 
      1   0.295329D+01 -0.439687D+00  0.273573D+01  0.175288D+01  0.366490D+01
      2   0.425220D+01  0.164772D+00  0.109280D+02  0.212447D+01 -0.296436D+01
      3   0.188038D+02 -0.369891D+01  0.396729D+02  0.192898D+02 -0.526143D+01
               196           197           198           199           200 
      1  -0.311172D+01  0.122860D+02 -0.297293D+01 -0.378228D-01 -0.189500D+01
      2  -0.479234D+00 -0.510490D+01  0.946581D+00  0.101354D+01 -0.140432D+01
      3  -0.722896D+01 -0.421868D+01  0.561915D+01 -0.242360D+02 -0.899314D+01
               201           202           203           204           205 
      1   0.466091D+00 -0.167231D+01  0.130889D+01 -0.340791D+01 -0.364869D+01
      2   0.369068D+01 -0.687940D+01  0.389010D+01  0.443557D+01 -0.173283D+02
      3   0.206669D+01  0.179918D+01 -0.150533D+01 -0.173042D+01  0.404162D+01
               206           207           208           209           210 
      1   0.433220D+01  0.264506D+00  0.122354D+01 -0.267351D+01  0.725823D+00
      2   0.140922D+02 -0.430489D+01  0.381692D+01 -0.465548D+01  0.120308D+02
      3  -0.360099D+01 -0.663817D+01  0.882381D+01 -0.358220D+02  0.386395D+01
               211           212           213           214           215 
      1   0.501973D+00 -0.757631D+00 -0.571077D+01  0.245863D+01 -0.658997D+00
      2  -0.320294D-01  0.245426D+01  0.576913D+01 -0.495269D+01 -0.356253D+01
      3   0.166498D+01  0.122134D+02 -0.286122D+01 -0.545153D-01  0.120218D+01
               216           217           218           219           220 
      1   0.983701D+00 -0.119971D+01  0.416741D+00 -0.102783D+01  0.218712D+01
      2  -0.761502D+00 -0.560421D+01 -0.129742D+01  0.767797D+01 -0.342963D+01
      3   0.151852D+01 -0.305132D+02 -0.283743D+01  0.347811D+01  0.692106D+01
               221           222           223           224           225 
      1   0.329179D+01  0.497964D+01  0.901776D+01  0.639963D+01 -0.143550D+01
      2  -0.703374D+01 -0.312137D+02 -0.690365D+01 -0.199872D+02  0.150914D+02
      3   0.170513D+02  0.744633D+01  0.393471D+01  0.598767D+01  0.254074D+02
               226           227           228           229           230 
      1   0.211285D+00 -0.318123D+00 -0.200399D+01  0.111951D+00 -0.782035D+00
      2   0.204225D+01  0.182008D+01 -0.120753D+00  0.138998D+01  0.354862D+01
      3   0.950142D+01  0.803224D+01 -0.198600D+01  0.698837D+01  0.179193D+02
               231           232           233           234           235 
      1  -0.414527D+01  0.147183D+01  0.184159D+01  0.341512D+00 -0.816796D+00
      2  -0.679600D+00 -0.485401D+00 -0.129681D+01  0.137802D+00 -0.985103D+00
      3  -0.356938D+01 -0.199023D+01 -0.387721D+01  0.488287D+00 -0.340651D+00
               236           237           238           239           240 
      1   0.912230D+00  0.212503D+01 -0.249222D+00 -0.800779D+00 -0.370766D+01
      2   0.112774D+00  0.253410D+01 -0.110781D+01  0.114723D+01 -0.389543D+01
      3  -0.555534D+01  0.510288D+00 -0.595814D+01  0.158169D+02 -0.127285D+01
               241           242           243           244           245 
      1  -0.256706D+01  0.114251D+01  0.593617D+00  0.217239D+00 -0.388913D-01
      2  -0.209423D+01 -0.144221D+01  0.127810D+01 -0.815906D+00 -0.756297D+00
      3   0.194841D+01 -0.232777D+01  0.189438D+01 -0.148426D+01 -0.252259D+01
               246           247           248           249           250 
      1  -0.107847D+01  0.238321D+00 -0.215728D+00 -0.267158D+01 -0.550841D+00
      2   0.125717D+01 -0.857344D+00 -0.276921D+01  0.298896D+01 -0.111775D+01
      3   0.428441D+00 -0.516335D+00 -0.134687D+02  0.229214D+01  0.554227D+00
               251           252           253           254           255 
      1   0.155463D+01  0.323737D+00 -0.131599D+00  0.608971D+00  0.137242D+01
      2  -0.706546D+00 -0.235870D+00 -0.649461D+01  0.729280D+00 -0.548138D+01
      3   0.300679D+01 -0.241589D-01  0.350675D-01  0.286712D+01 -0.238238D+01
               256           257           258           259           260 
      1  -0.302667D+00 -0.292883D+00 -0.187459D+01 -0.163502D+01  0.135186D+01
      2  -0.324613D+01 -0.818561D+01  0.132216D+02  0.714795D+01  0.119344D+02
      3  -0.402063D+01 -0.120810D+02  0.992763D+01  0.417894D+01  0.101727D+02
               261           262           263           264           265 
      1   0.502755D+01  0.673050D+00 -0.568238D+00 -0.437767D+00 -0.594668D+00
      2  -0.350423D+02  0.122561D+01  0.458343D-01  0.857764D+01  0.425411D+00
      3  -0.160165D+02  0.149349D+02 -0.984171D+01 -0.855706D+00 -0.871504D+01
               266           267           268           269           270 
      1   0.173856D+00 -0.765633D+00 -0.119302D+01  0.167872D+00  0.184034D+00
      2   0.925868D+00 -0.113550D+01  0.791203D+01  0.669285D+00 -0.157638D+01
      3   0.628166D+01 -0.533160D+00 -0.889559D+00 -0.816337D+00 -0.611406D+00
               271           272           273           274           275 
      1  -0.267249D+00  0.731835D-01  0.904797D+00 -0.119922D+01 -0.255873D+01
      2   0.683742D+01  0.725598D+00 -0.244429D+01  0.492686D+01  0.111676D+02
      3  -0.314458D+01  0.168105D+01  0.527555D+00 -0.923852D+01 -0.246937D+02
               276           277           278           279 
      1  -0.449835D+01 -0.248618D+01 -0.133201D+01 -0.521896D+01
      2   0.141855D+02  0.524259D+01  0.128977D+02  0.181608D+02
      3  -0.134408D+02 -0.620773D+01 -0.149503D+02 -0.155044D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.748382D+02  0.468004D+02 -0.484686D+01 -0.738382D+02  0.131972D+01
      2   0.382288D+02 -0.325643D+02  0.402515D+01  0.381199D+02  0.757812D+01
      3   0.366094D+02 -0.142361D+02  0.821710D+00  0.357183D+02 -0.889784D+01
      4   0.259568D+02  0.101739D+02 -0.351379D+01  0.905511D+01 -0.213272D+02
      5  -0.820784D+01 -0.417666D+01  0.206204D-01 -0.529452D+01  0.721895D+01
      6   0.227019D+01  0.201932D+01  0.156554D+01  0.415833D+01 -0.566412D+01
                 6             7             8             9            10 
      1   0.278675D+01  0.182684D+02 -0.517560D+01 -0.104661D+02  0.113909D+03
      2  -0.451444D+01 -0.849071D+01  0.192300D+01 -0.582428D+00 -0.545379D+02
      3   0.172769D+01 -0.977765D+01  0.325260D+01  0.110485D+02 -0.593711D+02
      4   0.404541D+01 -0.316359D+01  0.326740D+01 -0.667445D+00  0.134162D+02
      5   0.303329D+01  0.158034D+01 -0.120601D+01  0.607563D+00 -0.199635D+00
      6  -0.237667D+00  0.141911D+01  0.393558D+01  0.121914D+01 -0.704293D+01
                11            12            13            14            15 
      1   0.280042D+01 -0.907692D+01  0.586051D+02 -0.369850D+02  0.244586D+01
      2  -0.667493D+01  0.508210D+01 -0.217285D+02  0.263053D+02 -0.475604D+01
      3   0.387451D+01  0.399482D+01 -0.368766D+02  0.106797D+02  0.231019D+01
      4   0.151447D+02 -0.539492D+01 -0.314466D+02  0.165961D+02 -0.743930D+00
      5  -0.791580D+01 -0.911509D+01  0.986119D+01 -0.219014D+01 -0.394000D-01
      6   0.461207D+01  0.162892D+01 -0.405488D+01 -0.925925D+00 -0.146567D+01
                16            17            18            19            20 
      1  -0.185939D+02  0.595911D+01 -0.420285D+01  0.396081D+02 -0.501666D+02
      2   0.801590D+01 -0.416875D+01 -0.317828D+01 -0.200240D+02  0.376158D+02
      3   0.105780D+02 -0.179035D+01  0.738113D+01 -0.195841D+02  0.125508D+02
      4   0.594520D+01 -0.309309D+01  0.372613D+01 -0.279751D+02 -0.119408D+02
      5   0.199137D+01  0.265858D+01  0.129253D+01  0.107121D+02  0.433739D+01
      6   0.452811D+01  0.348459D+01  0.184495D+01 -0.207486D+01 -0.112278D+01
                21            22            23            24            25 
      1   0.627782D+01  0.677749D+01  0.326627D+02 -0.560027D+01 -0.414844D+01
      2  -0.525423D+01 -0.189541D+02 -0.322087D+02  0.667006D+01  0.645054D+01
      3  -0.102358D+01  0.121766D+02 -0.453972D+00 -0.106979D+01 -0.230210D+01
      4   0.346255D+01  0.152151D+02 -0.259991D+01  0.238943D+01 -0.861200D+00
      5  -0.295928D+01 -0.706126D+01  0.306243D+01  0.600297D+01  0.421236D+01
      6   0.580996D+00  0.850098D+01  0.567958D+01  0.164726D+01  0.244329D+01
                26            27            28            29            30 
      1  -0.138829D+01 -0.739823D+01  0.509315D+01 -0.121554D+01  0.238409D+01
      2   0.523113D+01 -0.679119D+01 -0.185462D+02 -0.172574D+01 -0.103337D+01
      3  -0.384284D+01  0.141894D+02  0.134531D+02  0.294128D+01 -0.135072D+01
      4   0.498477D+01  0.379869D+01 -0.212873D+01  0.125152D+02  0.250900D+00
      5   0.853508D+01 -0.219145D+01 -0.116825D+02  0.230938D+01  0.889447D+01
      6   0.463571D+01 -0.205110D+00  0.917020D+01 -0.132195D+01 -0.258487D+01
                31            32            33            34            35 
      1   0.139701D+02 -0.664469D+02  0.916494D+01 -0.219555D+01  0.110131D+02
      2  -0.368173D+01  0.619916D+02 -0.127379D+02 -0.488154D+00 -0.117126D+02
      3  -0.102884D+02  0.445532D+01  0.357301D+01  0.268371D+01  0.699454D+00
      4  -0.397012D+02 -0.116128D+02  0.487967D+01  0.138714D+02  0.303679D+01
      5   0.123664D+02  0.540602D+01 -0.111580D+01  0.282717D+02 -0.565644D+01
      6  -0.144995D+01 -0.624726D+01 -0.232412D+01 -0.618233D+01  0.590718D+01
                36            37            38            39            40 
      1  -0.133249D+01 -0.233434D+01  0.666004D+02 -0.126435D+02 -0.191293D+02
      2  -0.695734D+01 -0.427471D+01 -0.520257D+02  0.763730D+01  0.200279D+02
      3   0.828983D+01  0.660904D+01 -0.145747D+02  0.500620D+01 -0.898605D+00
      4  -0.331099D+00  0.240040D+02 -0.107300D+02 -0.745068D+00  0.190087D+02
      5  -0.789797D+00 -0.385020D+01 -0.398642D+01  0.220169D+01  0.248418D+01
      6   0.492228D+01 -0.311116D+01  0.414595D+01 -0.914801D+01 -0.978146D+01
                41            42            43            44            45 
      1   0.290518D+02 -0.844047D+01  0.547942D+01 -0.142981D+02 -0.129780D+02
      2  -0.325069D+02  0.785153D+01 -0.958538D+01  0.157168D+02  0.267887D+01
      3   0.345507D+01  0.588943D+00  0.410596D+01 -0.141868D+01  0.102991D+02
      4   0.166740D+02 -0.712657D+01 -0.129944D+01 -0.559074D+01 -0.671082D+01
      5  -0.846035D+01 -0.595529D+01  0.167058D+02 -0.719083D+01  0.406677D+01
      6   0.907164D+01  0.516264D+01 -0.183802D+02  0.156564D+02  0.527144D+00
                46            47            48            49            50 
      1   0.277363D+01 -0.547352D+02  0.820337D+01  0.212920D+02  0.122385D+02
      2  -0.133787D+01  0.431248D+02 -0.400177D+01 -0.198138D+02 -0.165294D+02
      3  -0.143576D+01  0.116104D+02 -0.420159D+01 -0.147824D+01  0.429094D+01
      4  -0.208540D+02 -0.911109D+01  0.427563D+01  0.142008D+02 -0.964961D+01
      5   0.539117D+01  0.641395D+01 -0.738832D-01 -0.245948D+01  0.151314D+01
      6   0.341583D+01 -0.168818D+00  0.789864D+01  0.336289D+01  0.104391D+02
                51            52            53            54            55 
      1  -0.758567D+01 -0.494267D+01 -0.303112D+01 -0.196046D+02 -0.276150D+02
      2   0.840474D+01  0.665507D+01  0.945250D+01  0.775092D+01  0.112230D+02
      3  -0.819070D+00 -0.171240D+01 -0.642138D+01  0.118537D+02  0.163920D+02
      4   0.293953D+01  0.135402D+01  0.617766D+01  0.618636D+01 -0.222829D+01
      5   0.107066D+01  0.523244D+01  0.289523D+01 -0.335297D+00 -0.110448D+01
      6   0.443128D+01  0.577824D+01  0.194148D+02 -0.508618D+01  0.350088D+01
                56            57            58            59            60 
      1  -0.413035D+02  0.728326D+01  0.133625D+02  0.207174D+02 -0.933742D+01
      2   0.351117D+02 -0.271135D+01 -0.120042D+02 -0.214472D+02  0.892454D+01
      3   0.619176D+01 -0.457190D+01 -0.135837D+01  0.729804D+00  0.412876D+00
      4  -0.445046D+02  0.752558D+01  0.139700D+02 -0.281920D+01 -0.121460D+01
      5   0.107837D+02 -0.854202D+01 -0.273968D+01 -0.284377D+01 -0.170514D+01
      6  -0.294871D+01  0.895311D+01  0.298362D+01  0.101737D+02  0.334213D+01
                61            62            63            64            65 
      1  -0.217253D+01 -0.619408D+01 -0.244896D+02  0.302256D+01 -0.666730D+00
      2   0.552961D+01  0.115762D+02  0.751512D+01 -0.241592D+00  0.210422D+01
      3  -0.335708D+01 -0.538211D+01  0.169745D+02 -0.278097D+01 -0.143749D+01
      4  -0.258658D+01  0.277003D+01 -0.446844D+01  0.101463D+02  0.100862D+02
      5  -0.112644D+01 -0.862827D+01  0.587141D+01 -0.206873D+01 -0.216650D+01
      6   0.670102D+01  0.170885D+02 -0.560480D+01 -0.179410D+01 -0.139189D+01
                66            67            68            69            70 
      1   0.457971D+00 -0.298864D+01 -0.138382D+02  0.309839D+01  0.870536D+00
      2  -0.378279D-01  0.531672D+01  0.167592D+02 -0.122130D+01 -0.543368D+00
      3  -0.420143D+00 -0.232807D+01 -0.292100D+01 -0.187709D+01 -0.327169D+00
      4  -0.162481D+01  0.132880D+02  0.181127D+02 -0.307211D+01 -0.248738D+01
      5   0.294916D+01 -0.363306D+01 -0.331435D+01  0.373037D+01  0.183014D+01
      6   0.161426D+01 -0.285865D+01 -0.591291D+01  0.505397D+01  0.236790D+01
                71            72            73            74            75 
      1   0.207695D+01 -0.281294D+01 -0.103366D+01  0.705794D+01 -0.858420D+00
      2  -0.182513D+01  0.253015D+01  0.102625D+02 -0.158726D+02  0.132698D+01
      3  -0.251816D+00  0.282797D+00 -0.922884D+01  0.881462D+01 -0.468558D+00
      4  -0.340294D+01  0.255629D+01 -0.217319D+02  0.217110D+02 -0.232503D+01
      5   0.999444D+00 -0.104041D+01  0.182357D+01 -0.232983D+01  0.299236D+01
      6   0.300640D+01 -0.212529D+01 -0.113875D+01  0.145713D+01 -0.307550D+01
                76            77            78            79            80 
      1   0.120961D+02 -0.289805D+02  0.360151D+01 -0.252722D+01  0.467371D+01
      2  -0.227610D+02  0.467940D+02 -0.431170D+01  0.437534D+01 -0.658653D+01
      3   0.106649D+02 -0.178135D+02  0.710194D+00 -0.184812D+01  0.191282D+01
      4   0.238171D+02 -0.328610D+02  0.363552D+01 -0.342915D+01  0.437121D+01
      5  -0.322284D+01  0.408552D+01 -0.365969D+01  0.565286D+00 -0.234704D+01
      6   0.373598D+01 -0.526637D+01  0.692099D+01  0.716881D+00  0.364647D+01
                81            82            83            84            85 
      1  -0.159935D+01 -0.558291D+01 -0.103617D+02  0.235879D+01 -0.960835D+01
      2   0.304762D+01  0.100462D+02  0.167294D+02 -0.250197D+01  0.138819D+02
      3  -0.144827D+01 -0.446328D+01 -0.636769D+01  0.143182D+00 -0.427352D+01
      4  -0.311724D+01  0.119644D+02  0.188046D+02 -0.325052D+01  0.125904D+02
      5   0.116115D+01 -0.134038D+01 -0.181883D+01  0.289333D+01 -0.136701D+01
      6  -0.208672D+01 -0.253800D+01 -0.367389D+01  0.364052D+01 -0.294896D+01
                86            87            88            89            90 
      1  -0.398364D+02  0.757004D+01  0.238221D+01  0.815881D+01 -0.255369D+01
      2   0.564655D+02 -0.831848D+01 -0.318318D+01 -0.101391D+02  0.333855D+01
      3  -0.166291D+02  0.748446D+00  0.800969D+00  0.198029D+01 -0.784856D+00
      4   0.263268D+02 -0.426778D+01 -0.308048D+01 -0.503752D+01  0.345944D+01
      5  -0.183802D+01  0.223999D+01  0.111947D+01  0.277119D+01 -0.153032D+01
      6  -0.103990D+02  0.881610D+01  0.949061D+00  0.529579D+01 -0.299791D+01
                91            92            93            94            95 
      1  -0.364241D+00  0.189941D+01 -0.121601D+02 -0.499786D+01 -0.337788D+01
      2   0.629456D+01  0.214388D+01  0.991332D+00  0.106314D+02 -0.963371D+01
      3  -0.593032D+01 -0.404329D+01  0.111687D+02 -0.563350D+01  0.130116D+02
      4  -0.368605D+01 -0.148838D+02 -0.369461D+01 -0.168620D+02  0.358199D+02
      5  -0.182690D+01 -0.470485D+01 -0.211013D+02  0.112933D+01 -0.135679D+02
      6  -0.320066D+01  0.124892D+01  0.105591D+01 -0.284603D+01  0.289380D+01
                96            97            98            99           100 
      1  -0.251779D+01 -0.388358D+00 -0.423715D+01 -0.201086D+02 -0.729344D+02
      2   0.213776D+01 -0.122864D+02  0.875727D+01  0.192716D+02  0.403653D+02
      3   0.380035D+00  0.126747D+02 -0.452012D+01  0.837033D+00  0.325691D+02
      4  -0.156404D+02 -0.559770D+01 -0.175196D+02 -0.440235D+01  0.111222D+02
      5  -0.634282D+01 -0.563825D+02  0.500369D+00  0.159612D+02  0.368363D+02
      6   0.305660D+01  0.296081D+01 -0.179399D+00 -0.146064D+01 -0.364262D+01
               101           102           103           104           105 
      1   0.712641D+01  0.268521D+02  0.437916D+01  0.298181D+02  0.825077D+01
      2  -0.314025D+01 -0.660871D+01 -0.538230D+01 -0.529541D+01  0.393412D+00
      3  -0.398616D+01 -0.202434D+02  0.100314D+01 -0.245227D+02 -0.864418D+01
      4   0.172643D+02  0.129213D+01  0.158630D+02 -0.143014D+02  0.235393D+02
      5   0.859030D+00  0.113402D+02 -0.662374D+00  0.155291D+02  0.794955D+01
      6  -0.111139D+02 -0.324709D+01 -0.654298D+01  0.381995D+01 -0.192363D+02
               106           107           108           109           110 
      1   0.476766D+01  0.820471D+01  0.210276D+02 -0.709472D+02 -0.214590D+02
      2   0.143293D+02 -0.316187D+01 -0.212916D+02  0.267844D+02  0.242268D+01
      3  -0.190970D+02 -0.504284D+01  0.263962D+00  0.441628D+02  0.190363D+02
      4   0.140879D+01  0.203782D+02  0.508095D+01 -0.364706D+02 -0.226716D+02
      5   0.368262D+02  0.263847D+01 -0.274447D+02  0.546230D+01 -0.666184D+00
      6  -0.353857D+01 -0.144526D+02 -0.719711D+01 -0.129250D+00  0.207202D+01
               111           112           113           114           115 
      1   0.543072D+01 -0.303772D+02 -0.136685D+02  0.852207D+01  0.285860D+02
      2  -0.345397D+01  0.663281D+01  0.471513D+01 -0.123902D+01 -0.120831D+02
      3  -0.197675D+01  0.237444D+02  0.895337D+01 -0.728305D+01 -0.165029D+02
      4   0.250729D+01 -0.102080D+02 -0.211396D+02  0.930694D+01  0.106494D+02
      5  -0.353314D+01 -0.128309D+01  0.682150D+01 -0.440195D+01  0.187952D+02
      6  -0.400632D+01  0.276523D+01 -0.357690D+01  0.195335D+00  0.261232D+01
               116           117           118           119           120 
      1   0.531042D+01  0.191399D+02  0.752731D+01 -0.970991D+01  0.518110D+01
      2  -0.190217D+01 -0.216006D+01  0.285700D+01  0.415709D+00 -0.140913D+01
      3  -0.340824D+01 -0.169799D+02 -0.103843D+02  0.929421D+01 -0.377196D+01
      4   0.136726D+02  0.404545D+01 -0.211064D+02  0.206386D+02 -0.123934D+01
      5   0.284570D+01  0.429411D+01  0.632225D+01 -0.706194D+00  0.961929D+01
      6  -0.163315D+01 -0.124107D+01 -0.152665D+01  0.638887D+00 -0.102110D+01
               121           122           123           124           125 
      1  -0.158284D+02 -0.188602D+01 -0.264637D+00  0.653958D+01  0.149075D+01
      2   0.237008D+01  0.195708D+02 -0.309948D+01 -0.224351D+01 -0.469869D+01
      3   0.134583D+02 -0.176848D+02  0.336411D+01 -0.429606D+01  0.320795D+01
      4   0.229488D+02 -0.490436D+02  0.836408D+01 -0.315132D+01  0.115907D+02
      5  -0.223059D+01  0.753035D+01 -0.101577D+02  0.120921D+02 -0.832290D+01
      6   0.659027D+00 -0.260456D+01  0.445308D+01 -0.253327D+01  0.627910D+01
               126           127           128           129           130 
      1   0.289221D+01  0.123735D+01  0.696797D+01 -0.905785D+01  0.100234D+02
      2  -0.596742D+00 -0.124074D+01 -0.314772D+01  0.608280D+00 -0.669397D+01
      3  -0.229547D+01  0.339053D-02 -0.382025D+01  0.844957D+01 -0.332948D+01
      4  -0.903024D+01  0.403666D+01 -0.451774D+01  0.162220D+01  0.121794D+01
      5   0.410094D+01 -0.258667D+01 -0.109482D+01 -0.348820D+01 -0.891313D+01
      6  -0.251476D+01 -0.346137D+01  0.453090D+01 -0.175748D+01  0.647013D+00
               131           132           133           134           135 
      1  -0.159742D+02  0.869537D+01 -0.411756D+01  0.572795D+01 -0.114938D+02
      2   0.591618D+01  0.353033D+01  0.145977D+01  0.179066D+01 -0.168646D+01
      3   0.100580D+02 -0.122257D+02  0.265779D+01 -0.751861D+01  0.131803D+02
      4   0.291034D+02 -0.154209D+02 -0.903287D+00 -0.104395D+02  0.910268D+01
      5  -0.115236D+02  0.162047D+02  0.223055D+01  0.733685D+01 -0.888750D+01
      6  -0.198223D+02  0.133029D+02  0.455499D+00  0.106028D+02 -0.753187D+01
               136           137           138           139           140 
      1   0.109933D+03 -0.566789D+01 -0.192514D+02 -0.438142D+01  0.712056D+01
      2  -0.649137D+02  0.239476D+01  0.176825D+02  0.114086D+01 -0.462181D+01
      3  -0.450189D+02  0.327313D+01  0.156889D+01  0.324056D+01 -0.249875D+01
      4  -0.129641D+02  0.115612D+02  0.328060D+01  0.151342D+02 -0.136855D+01
      5  -0.609239D+02  0.366479D+01  0.284473D+02  0.237343D+01 -0.754028D+01
      6   0.491594D+01 -0.395313D+01 -0.196591D+01 -0.487238D+01  0.253191D+00
               141           142           143           144           145 
      1   0.608487D-03 -0.905618D+01 -0.978663D+00  0.996619D+01 -0.225821D+01
      2  -0.209710D+00  0.939592D+01 -0.142068D+00 -0.763550D+01 -0.438828D+00
      3   0.209101D+00 -0.339737D+00  0.112073D+01 -0.233069D+01  0.269704D+01
      4  -0.604266D+01  0.291672D+00 -0.338484D+01 -0.157203D+01 -0.404165D+01
      5  -0.149532D+01  0.184234D+02 -0.833763D+00 -0.785692D+01 -0.306512D+01
      6   0.430269D+01 -0.779539D+00  0.264469D+01  0.112590D+01  0.491395D+01
               146           147           148           149           150 
      1  -0.105340D+02 -0.156036D+02 -0.905025D+01 -0.202248D+02 -0.168672D+02
      2   0.420595D+01  0.171310D+01  0.585105D+01  0.857414D+01  0.273565D+00
      3   0.632804D+01  0.138905D+02  0.319920D+01  0.116506D+02  0.165936D+02
      4  -0.486870D+01 -0.265887D+01  0.171329D+01 -0.199410D+02 -0.186419D+02
      5  -0.139868D+00 -0.545274D+01  0.730245D+01 -0.144696D+02 -0.200725D+02
      6   0.671382D+01  0.588951D+01  0.723460D+00  0.190877D+02  0.195556D+02
               151           152           153           154           155 
      1  -0.605916D+01 -0.130449D+02 -0.260311D+02  0.161569D+03  0.342322D+02
      2   0.224919D+01 -0.330795D+00 -0.348585D+01 -0.714260D+02 -0.941060D+01
      3   0.380997D+01  0.133757D+02  0.295169D+02 -0.901428D+02 -0.248216D+02
      4   0.204415D+01 -0.135868D+02 -0.153217D+02  0.578906D+02  0.419772D+02
      5   0.345834D+01 -0.134015D+02 -0.240220D+02  0.101147D+02  0.370708D+01
      6   0.228005D+00  0.151688D+02  0.185540D+02 -0.250750D+00  0.929838D+00
               156           157           158           159           160 
      1  -0.653546D+01  0.467112D+02  0.327753D+02 -0.428842D+01 -0.743732D+01
      2  -0.108368D+01 -0.105152D+02 -0.166474D+01 -0.687228D+00 -0.213585D+00
      3   0.761914D+01 -0.361960D+02 -0.311105D+02  0.497564D+01  0.765090D+01
      4  -0.579435D-01  0.594277D+02  0.498417D+02 -0.488700D+01 -0.455445D+01
      5   0.308881D+02  0.137966D+01 -0.209957D+00  0.149881D+02  0.304417D+02
      6   0.540901D+01  0.331427D+01  0.313363D+01  0.669287D+01  0.654201D+01
               161           162           163           164           165 
      1  -0.317055D+01  0.182892D+02  0.366883D+02  0.119322D+02  0.103924D+02
      2  -0.761429D+00 -0.103637D+02 -0.236128D+02 -0.418334D+01 -0.765810D+01
      3   0.393198D+01 -0.792552D+01 -0.130754D+02 -0.774888D+01 -0.273429D+01
      4  -0.800702D+01  0.119091D+02  0.194519D+02  0.106785D+02  0.155829D+01
      5   0.108755D+02 -0.763182D+01  0.230937D+02  0.309768D+01  0.170246D+02
      6   0.580768D+01 -0.327093D+00  0.860570D+01  0.164230D+01  0.466589D+00
               166           167           168           169           170 
      1   0.169669D+02 -0.581269D+01 -0.755213D+01 -0.459661D+01 -0.542244D+01
      2  -0.851620D+01  0.287446D+01  0.173784D+01 -0.210821D+01  0.142589D+01
      3  -0.845072D+01  0.293822D+01  0.581429D+01  0.670482D+01  0.399654D+01
      4   0.108724D+02  0.642232D+01  0.111092D+02 -0.168443D+01  0.281344D+01
      5   0.100574D+02  0.120225D+02  0.100085D+02  0.149808D+02  0.445820D+01
      6   0.244909D+01  0.642783D+01  0.121979D+02  0.368273D+00  0.102191D+02
               171           172           173           174           175 
      1  -0.271618D+02 -0.393000D+02 -0.803001D+01  0.839711D+01 -0.178669D+02
      2  -0.147399D+02  0.210937D+02  0.351778D+01  0.291446D+01  0.109970D+02
      3   0.419017D+02  0.182064D+02  0.451223D+01 -0.113116D+02  0.686989D+01
      4   0.292063D+01 -0.170848D+02 -0.730196D+01 -0.109522D+01 -0.859117D+01
      5   0.425419D+02 -0.169358D+02 -0.381618D+01 -0.115185D+02 -0.947246D+01
      6   0.759780D+01 -0.668339D+01 -0.402326D+01 -0.192654D+01 -0.336484D+01
               176           177           178           179           180 
      1  -0.791415D+01  0.235633D+01 -0.141608D+01  0.424594D+00 -0.901475D+01
      2   0.438535D+01  0.243244D+01  0.594731D+01  0.514225D+00  0.255630D+01
      3   0.352880D+01 -0.478876D+01 -0.453123D+01 -0.938819D+00  0.645845D+01
      4  -0.367226D+01  0.149626D+01 -0.406434D+01 -0.204871D+00 -0.324778D+01
      5   0.336305D+00 -0.733359D+01 -0.659449D+01 -0.168104D+01  0.434028D+00
      6  -0.222217D+01  0.192825D+01 -0.200590D+01  0.118835D+01 -0.194348D+01
               181           182           183           184           185 
      1   0.375658D+02  0.562133D+02 -0.119297D+02 -0.363340D+02  0.266811D+02
      2  -0.248870D+02 -0.421719D+02  0.546195D+01  0.246644D+02 -0.272505D+02
      3  -0.126788D+02 -0.140414D+02  0.646778D+01  0.116695D+02  0.569317D+00
      4   0.184710D+02  0.267870D+02 -0.646746D+01  0.163553D+02  0.282831D+02
      5  -0.632465D+00 -0.927567D+01  0.121826D+02  0.235037D+01 -0.112541D+02
      6  -0.148317D+01  0.714984D+01 -0.961614D+01 -0.666761D+01  0.932697D+01
               186           187           188           189           190 
      1  -0.342927D+01  0.680193D+01 -0.107581D+02  0.694371D+00  0.130542D+03
      2   0.507499D+01 -0.125810D+02  0.145339D+02 -0.505049D+01 -0.714554D+02
      3  -0.164572D+01  0.577906D+01 -0.377576D+01  0.435612D+01 -0.590862D+02
      4  -0.111338D+02 -0.185202D+01 -0.137027D+02 -0.172773D+02 -0.166199D+02
      5  -0.533439D+01  0.264569D+02 -0.154105D+02  0.715173D+01  0.505901D+01
      6   0.405606D+01 -0.202580D+02  0.143080D+02 -0.127876D-01  0.194851D+00
               191           192           193           194           195 
      1  -0.310036D+02 -0.125438D+01 -0.845186D+02 -0.395670D+02  0.161066D+02
      2   0.126385D+02 -0.506441D+00  0.458414D+02  0.430014D+02 -0.161316D+02
      3   0.183651D+02  0.176082D+01  0.386772D+02 -0.343440D+01  0.250046D-01
      4   0.117003D+02 -0.971035D+00 -0.375416D+02 -0.533581D+02  0.998887D+01
      5  -0.900944D+00  0.387326D+01  0.160403D+02  0.100022D+02 -0.668533D+01
      6   0.213349D+01 -0.179747D+01  0.179590D+01 -0.112424D+02 -0.287754D+01
               196           197           198           199           200 
      1   0.123421D+02  0.120274D+02  0.186137D+02 -0.118576D+03 -0.785258D+01
      2  -0.790027D+01 -0.103838D+02 -0.170605D+02  0.570129D+02  0.137885D+02
      3  -0.444183D+01 -0.164365D+01 -0.155317D+01  0.615630D+02 -0.593593D+01
      4   0.153036D+02  0.568089D+01 -0.837815D+01 -0.139292D+02 -0.255021D+02
      5   0.416575D+02 -0.139738D+02  0.214403D+01  0.355409D+01  0.104942D+02
      6  -0.436704D+01  0.659526D+01  0.331463D+01  0.677040D+01 -0.505523D+01
               201           202           203           204           205 
      1   0.875300D+01  0.110144D+03  0.374516D+01 -0.910213D+01 -0.126193D+02
      2  -0.622124D+01 -0.682987D+02 -0.142080D+02  0.802677D+01  0.964843D+01
      3  -0.253176D+01 -0.418452D+02  0.104628D+02  0.107536D+01  0.297089D+01
      4   0.825326D+01  0.114785D+02  0.200597D+02  0.129782D+01  0.118829D+01
      5   0.455353D+01 -0.293589D+01  0.165969D+01  0.107697D+02  0.467491D+01
      6   0.868631D+00  0.320243D+01  0.909152D+01  0.455032D+01  0.196149D+01
               206           207           208           209           210 
      1  -0.317527D+00 -0.122267D+02  0.572518D+01 -0.117353D+01  0.275022D+01
      2   0.351352D+01 -0.479294D+01 -0.378126D+01 -0.190270D+00  0.574444D+00
      3  -0.319599D+01  0.170196D+02 -0.194391D+01  0.136380D+01 -0.332467D+01
      4   0.653604D+01  0.168427D+02 -0.162551D+02  0.131610D+02  0.243039D+01
      5   0.203049D+02 -0.834913D+01  0.201968D+01  0.158324D+01  0.218291D+02
      6   0.793031D+01  0.736813D+00  0.162396D+01 -0.654323D+00  0.718687D+00
               211           212           213           214           215 
      1  -0.134341D+02  0.157067D+01  0.259584D+01  0.405878D+01 -0.280483D+00
      2   0.509797D+01  0.208186D+01  0.201687D+01 -0.182179D+01  0.112796D+01
      3   0.833610D+01 -0.365253D+01 -0.461271D+01 -0.223699D+01 -0.847482D+00
      4   0.268948D+02 -0.235853D+02  0.399686D+01 -0.181388D+01  0.127583D+01
      5  -0.334992D+00  0.529442D+01  0.101667D+02  0.131176D+02 -0.754394D+01
      6  -0.682809D+00  0.267988D+01  0.853310D+01 -0.267861D+01  0.451738D+01
               216           217           218           219           220 
      1   0.271694D+01 -0.863846D+02  0.217070D+02  0.316293D+01  0.389450D+02
      2  -0.275467D+01  0.474224D+02 -0.108140D+02 -0.108514D+01 -0.193781D+02
      3   0.377348D-01  0.389622D+02 -0.108930D+02 -0.207779D+01 -0.195669D+02
      4  -0.767469D+01  0.252170D+02  0.147023D+02 -0.614077D+01 -0.977211D+01
      5  -0.221790D+01  0.206516D+01 -0.604442D+01  0.905715D+01 -0.783829D+01
      6  -0.176141D+01 -0.332091D+01 -0.103062D+01  0.238098D+01 -0.271054D+01
               221           222           223           224           225 
      1   0.694652D+01 -0.894774D+01 -0.136241D+01 -0.523525D+01  0.163541D+02
      2  -0.577374D+01 -0.405147D+01 -0.300430D+01 -0.299313D+01 -0.634760D+01
      3  -0.117279D+01  0.129992D+02  0.436670D+01  0.822838D+01 -0.100065D+02
      4  -0.112844D+02 -0.182580D+02 -0.608177D+01 -0.152437D+02 -0.362182D+02
      5  -0.185921D+02 -0.592639D+02 -0.961335D+01 -0.354656D+02  0.242385D+02
      6  -0.433909D+01 -0.149623D+02 -0.669095D+01 -0.999149D+01  0.716047D+01
               226           227           228           229           230 
      1  -0.994017D+01 -0.182948D+02  0.415745D+01 -0.105287D+02 -0.468876D+02
      2   0.101659D+02  0.194211D+02 -0.297051D+01  0.116136D+02  0.558570D+02
      3  -0.225781D+00 -0.112633D+01 -0.118694D+01 -0.108486D+01 -0.896940D+01
      4   0.420263D+01  0.655669D+01 -0.106323D+01  0.311388D+01 -0.422681D+01
      5  -0.510944D+00 -0.634836D+00  0.977888D+00  0.246373D-01  0.215526D+01
      6  -0.274153D+01 -0.470029D+01  0.374635D+01 -0.298481D+01 -0.132115D+02
               231           232           233           234           235 
      1   0.928027D+01  0.287327D+01  0.998007D+01 -0.290793D+01  0.183383D+02
      2  -0.809990D+01 -0.305028D+01 -0.998065D+01  0.328929D+01  0.118145D+01
      3  -0.118037D+01  0.177014D+00  0.584404D-03 -0.381357D+00 -0.195197D+02
      4   0.100982D+01 -0.361360D+00  0.777154D+00  0.104217D+01 -0.375052D+02
      5  -0.163740D+01  0.191420D+01 -0.585666D-01 -0.207838D+00  0.605986D+01
      6   0.904380D+01  0.193690D+00  0.598649D+01 -0.315167D+01 -0.277711D+01
               236           237           238           239           240 
      1  -0.991267D+01  0.104676D+01 -0.654559D+01 -0.398287D+01  0.330443D+00
      2  -0.702360D+01 -0.185686D-01 -0.138183D+02  0.310507D+02 -0.182565D+01
      3   0.169363D+02 -0.102819D+01  0.203639D+02 -0.270678D+02  0.149521D+01
      4   0.368884D+02 -0.376356D+01  0.437956D+02 -0.604407D+02  0.685378D+01
      5  -0.529874D+01  0.558545D+01 -0.797040D+01  0.942150D+01 -0.764664D+01
      6   0.285254D+01 -0.369353D+01  0.596700D+01 -0.788822D+01  0.730930D+01
               241           242           243           244           245 
      1  -0.166908D+00  0.880095D+00 -0.139927D+01  0.164296D+02  0.122682D+02
      2   0.312412D+01 -0.371536D+01  0.256017D+01 -0.605141D+01 -0.399084D+01
      3  -0.295721D+01  0.283527D+01 -0.116089D+01 -0.103782D+02 -0.827739D+01
      4  -0.615636D+01  0.813382D+01 -0.511531D+01  0.213427D+02  0.153914D+02
      5   0.120243D+01 -0.453442D+01  0.230329D+01 -0.449538D+01 -0.288445D+01
      6  -0.575782D+00  0.456233D+01 -0.231573D+01 -0.114628D+01 -0.109484D+01
               246           247           248           249           250 
      1  -0.313083D+01  0.153786D+02 -0.923146D-02 -0.727045D+00 -0.370096D+01
      2   0.155787D+01 -0.206836D+01  0.111721D+02 -0.241728D+00  0.159936D+01
      3   0.157296D+01 -0.133102D+02 -0.111629D+02  0.968773D+00  0.210160D+01
      4  -0.357157D+01  0.263265D+02  0.362865D+02 -0.698248D+01 -0.591909D+01
      5   0.315918D+01 -0.491152D+01 -0.560638D+01  0.585376D+01  0.232103D+01
      6   0.126482D+01 -0.223500D+01 -0.390095D+01  0.464153D+01  0.262309D+01
               251           252           253           254           255 
      1  -0.111109D+01 -0.575823D+00 -0.193904D+01  0.457307D+00 -0.129599D+02
      2  -0.909416D+00  0.166084D+01 -0.163562D+00 -0.688151D+00  0.425570D+01
      3   0.202051D+01 -0.108501D+01  0.210260D+01  0.230844D+00  0.870418D+01
      4  -0.771957D+01  0.260719D+01 -0.283513D+01 -0.273586D+01 -0.650803D+00
      5   0.974755D+00 -0.142414D+01 -0.815738D+01 -0.164109D-01 -0.664379D+01
      6   0.198768D+01 -0.187204D+01 -0.169167D+01  0.930983D+00 -0.268970D+01
               256           257           258           259           260 
      1   0.282460D+01 -0.216125D+00  0.182065D+01 -0.273158D+02 -0.212410D+01
      2  -0.152670D+01  0.951451D+00  0.384941D-01  0.180230D+02  0.246965D+01
      3  -0.129790D+01 -0.735326D+00 -0.185915D+01  0.929280D+01 -0.345543D+00
      4   0.144088D+02  0.177637D+02 -0.162371D+02 -0.153614D+02 -0.159002D+02
      5  -0.931549D+01 -0.150638D+02  0.252218D+02  0.276118D+02  0.216392D+02
      6  -0.337126D+01 -0.650230D+01  0.107606D+02  0.698997D+01  0.924445D+01
               261           262           263           264           265 
      1  -0.620904D+01  0.199452D+03 -0.149291D+02 -0.770913D+01 -0.407374D+02
      2  -0.102535D+02 -0.104874D+03  0.868312D+01  0.491375D+01  0.224657D+02
      3   0.164625D+02 -0.945782D+02  0.624601D+01  0.279538D+01  0.182717D+02
      4   0.231670D+02 -0.552382D+01  0.152986D+02  0.878129D+00  0.206459D+02
      5  -0.644222D+02 -0.114443D+02  0.148657D+01  0.172765D+02  0.332386D+01
      6  -0.155180D+02  0.182544D+01 -0.866217D+00  0.595231D+00 -0.138411D+01
               266           267           268           269           270 
      1   0.194005D+02  0.203490D+01 -0.249805D+01  0.609090D+00  0.166663D+02
      2  -0.965081D+01 -0.936147D+00  0.244283D+01  0.786190D-01 -0.997938D+01
      3  -0.974965D+01 -0.109875D+01  0.552220D-01 -0.687709D+00 -0.668690D+01
      4  -0.107273D+02  0.717788D+00  0.108145D+01  0.159310D+01  0.143753D+01
      5   0.340991D+00 -0.244152D+01  0.236214D+02  0.521364D+00 -0.402617D+01
      6   0.111681D+01  0.149086D+01  0.636522D+00  0.181164D+01 -0.294157D+00
               271           272           273           274           275 
      1   0.652389D+01  0.616374D+01  0.108155D+02  0.160833D+02  0.579231D+01
      2  -0.207595D+01 -0.329937D+01 -0.563224D+01 -0.430088D+01  0.628192D+01
      3  -0.444794D+01 -0.286437D+01 -0.518325D+01 -0.117824D+02 -0.120742D+02
      4   0.462568D+01  0.137887D+01  0.275711D+01  0.291977D+02  0.415770D+02
      5   0.106837D+02  0.170614D+01 -0.367641D+01  0.129529D+02  0.240745D+02
      6   0.254785D+01  0.418727D-01 -0.174804D+01  0.465601D+01  0.839607D+01
               276           277           278           279 
      1   0.142189D+01  0.289020D+02  0.565372D+01 -0.156818D+01
      2   0.402249D+01 -0.131058D+02  0.723171D+00 -0.265638D+00
      3  -0.544438D+01 -0.157961D+02 -0.637690D+01  0.183382D+01
      4   0.242640D+02  0.212713D+02  0.257736D+02  0.256505D+02
      5   0.280482D+02  0.187987D+02  0.252079D+02  0.363733D+02
      6   0.931989D+01  0.642288D+01  0.898274D+01  0.101103D+02
 Leave Link  716 at Fri Aug 13 13:53:47 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.286417D+03 -0.110920D+02 -0.983504D+01
      2  -0.110920D+02  0.173651D+03 -0.813452D+01
      3  -0.983504D+01 -0.813452D+01  0.119661D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.957958D+01  0.196710D+02 -0.145160D+02
      2  -0.237228D+02 -0.123644D+02 -0.271736D+02
      3   0.488962D+02 -0.570189D+02  0.194452D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.303145D+03 -0.928508D+02 -0.135803D+02
      2  -0.134319D+03  0.750303D+02 -0.129829D+02
      3  -0.168826D+03  0.178205D+02  0.265633D+02
      4  -0.187275D+02  0.115282D+03 -0.404092D+02
      5   0.480126D+02 -0.485892D+02 -0.581093D+02
      6  -0.227766D+02  0.403364D+02  0.246551D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.354473D+02  0.718343D+01  0.703434D+00 -0.367313D+02  0.113915D+02
      2   0.718343D+01 -0.333715D+01  0.876258D-01  0.113915D+02 -0.112245D+02
      3   0.703434D+00  0.876258D-01  0.430144D-01  0.917867D-01  0.122625D+01
                 6             7             8             9            10 
      1   0.917867D-01  0.922827D+01 -0.284223D+01 -0.821761D+00  0.436493D+02
      2   0.122625D+01 -0.284223D+01  0.187355D+01 -0.120972D+01 -0.941581D+01
      3   0.148226D+00 -0.821761D+00 -0.120972D+01  0.591238D+00 -0.971716D+00
                11            12            13            14            15 
      1  -0.941581D+01 -0.971716D+00  0.344569D+02 -0.101958D+02  0.118808D+00
      2   0.688730D+01 -0.724927D+00 -0.101958D+02  0.917610D+01 -0.919825D+00
      3  -0.724927D+00 -0.261567D+00  0.118808D+00 -0.919825D+00 -0.557892D-01
                16            17            18            19            20 
      1  -0.908155D+01  0.286570D+01  0.154447D+01  0.315209D+02 -0.715281D+01
      2   0.286570D+01 -0.188459D+01  0.922934D+00 -0.715281D+01  0.512712D+01
      3   0.154447D+01  0.922934D+00 -0.363478D+00 -0.415940D+00 -0.630814D+00
                21            22            23            24            25 
      1  -0.415940D+00 -0.218685D+02  0.383465D+01 -0.606455D-01  0.261476D+01
      2  -0.630814D+00  0.383465D+01 -0.546304D+01 -0.109345D+00 -0.717247D+00
      3   0.189117D+00 -0.606455D-01 -0.109345D+00 -0.175797D+01 -0.988485D+00
                26            27            28            29            30 
      1  -0.717247D+00 -0.988485D+00 -0.397296D+02  0.581676D+01  0.720672D+00
      2  -0.385060D+00 -0.271908D+01  0.581676D+01 -0.289480D+01 -0.259963D+00
      3  -0.271908D+01  0.164567D+01  0.720672D+00 -0.259963D+00 -0.206995D+01
                31            32            33            34            35 
      1   0.133021D+02 -0.158990D+01 -0.129617D+01 -0.346941D+01 -0.763059D+00
      2  -0.158990D+01  0.983929D+01 -0.145460D+01 -0.763059D+00 -0.101495D+01
      3  -0.129617D+01 -0.145460D+01  0.513500D+00 -0.567840D+01  0.117567D+01
                36            37            38            39            40 
      1  -0.567840D+01 -0.364566D+01 -0.713812D+00  0.812266D-01  0.788394D+01
      2   0.117567D+01 -0.713812D+00 -0.896222D+01  0.147120D+01 -0.207318D+01
      3   0.422749D+00  0.812266D-01  0.147120D+01 -0.210425D+01 -0.551287D+00
                41            42            43            44            45 
      1  -0.207318D+01 -0.551287D+00 -0.152933D+01 -0.398323D+00 -0.456632D+01
      2  -0.209983D+01  0.137833D+01 -0.398323D+00  0.232876D+01  0.296497D+01
      3   0.137833D+01  0.127335D+01 -0.456632D+01  0.296497D+01 -0.783001D+00
                46            47            48            49            50 
      1   0.877927D+01 -0.191777D+01  0.176236D+00  0.944789D-01 -0.111047D+01
      2  -0.191777D+01  0.701450D+01 -0.485179D+00 -0.111047D+01 -0.281393D+00
      3   0.176236D+00 -0.485179D+00  0.197739D+01  0.498359D+00  0.104645D+01
                51            52            53            54            55 
      1   0.498359D+00 -0.338537D+00  0.786311D+00  0.122240D+01 -0.130909D+02
      2   0.104645D+01  0.786311D+00  0.106887D+01  0.345325D+01  0.349366D+01
      3   0.884007D+00  0.122240D+01  0.345325D+01 -0.176995D+01  0.207831D-01
                56            57            58            59            60 
      1   0.349366D+01  0.207831D-01  0.407128D+01 -0.409229D+00 -0.665051D+00
      2  -0.959081D+01  0.102468D+01 -0.409229D+00  0.195612D+01 -0.120449D+01
      3   0.102468D+01 -0.186227D+01 -0.665051D+00 -0.120449D+01 -0.966980D+00
                61            62            63            64            65 
      1  -0.215928D+00 -0.799659D+00 -0.153374D+01 -0.257560D+01 -0.249823D+01
      2  -0.799659D+00 -0.933967D+00 -0.305633D+01 -0.249823D+01 -0.141531D+01
      3  -0.153374D+01 -0.305633D+01  0.180827D+01  0.475269D+00  0.298446D+00
                66            67            68            69            70 
      1   0.475269D+00 -0.338736D+01 -0.285051D+01  0.737150D+00  0.627136D+00
      2   0.298446D+00 -0.285051D+01 -0.504989D+01  0.967626D+00  0.656904D+00
      3  -0.489981D+00  0.737150D+00  0.967626D+00 -0.103251D+01 -0.301776D+00
                71            72            73            74            75 
      1   0.656904D+00 -0.301776D+00 -0.466323D+01  0.321590D+01 -0.254275D+00
      2   0.957820D+00 -0.412016D+00  0.321590D+01 -0.340178D+01  0.340982D+00
      3  -0.412016D+00  0.253614D+00 -0.254275D+00  0.340982D+00 -0.416920D+00
                76            77            78            79            80 
      1   0.343905D+01 -0.454923D+01  0.699814D+00 -0.342908D+00  0.789009D+00
      2  -0.454923D+01  0.789723D+01 -0.923079D+00  0.789009D+00 -0.123562D+01
      3   0.699814D+00 -0.923079D+00  0.907891D+00  0.306725D+00  0.394912D+00
                81            82            83            84            85 
      1   0.306725D+00  0.186912D+01  0.221708D+01 -0.487784D+00  0.109954D+01
      2   0.394912D+00  0.221708D+01  0.316080D+01 -0.618340D+00  0.250143D+01
      3  -0.257291D+00 -0.487784D+00 -0.618340D+00  0.512372D+00 -0.458205D+00
                86            87            88            89            90 
      1   0.250143D+01 -0.458205D+00 -0.330113D+00 -0.579272D+00  0.206163D+00
      2   0.891498D+01 -0.155990D+01 -0.579272D+00 -0.185192D+01  0.543466D+00
      3  -0.155990D+01  0.115730D+01  0.206163D+00  0.543466D+00 -0.327297D+00
                91            92            93            94            95 
      1   0.126774D+02 -0.158063D+01  0.341835D+00  0.369146D+01  0.125018D+01
      2  -0.158063D+01  0.157100D+01  0.749949D+00  0.125018D+01 -0.355174D+01
      3   0.341835D+00  0.749949D+00  0.302624D+01  0.408692D+00  0.190694D+01
                96            97            98            99           100 
      1   0.408692D+00 -0.255849D+01  0.112987D+01  0.745287D+01  0.836311D+01
      2   0.190694D+01  0.112987D+01  0.184269D+01  0.102744D+00 -0.600710D+00
      3   0.129372D+01  0.745287D+01  0.102744D+00 -0.170379D+01 -0.160382D+01
               101           102           103           104           105 
      1  -0.600710D+00 -0.160382D+01 -0.198459D+01 -0.170434D+01 -0.404366D-01
      2  -0.169804D+01 -0.503209D+00 -0.170434D+01  0.143643D+01 -0.346370D+01
      3  -0.503209D+00 -0.244334D+01 -0.404366D-01 -0.346370D+01 -0.152840D+01
               106           107           108           109           110 
      1   0.509374D+01 -0.793148D+00 -0.507953D+01  0.552624D+01  0.301639D+01
      2  -0.793148D+00 -0.253202D+01 -0.790910D+00  0.301639D+01  0.102129D+01
      3  -0.507953D+01 -0.790910D+00  0.254750D+01 -0.153645D+01 -0.350256D+00
               111           112           113           114           115 
      1  -0.153645D+01  0.765663D+00  0.112158D+01 -0.933090D+00 -0.577213D+01
      2  -0.350256D+00  0.112158D+01  0.550466D+00 -0.947600D+00 -0.944163D+00
      3  -0.714895D+00 -0.933090D+00 -0.947600D+00 -0.408035D+00 -0.333215D+01
               116           117           118           119           120 
      1  -0.944163D+00 -0.333215D+01 -0.660255D+00  0.212384D+01 -0.743829D+00
      2  -0.144536D+01 -0.113544D+00  0.212384D+01 -0.184674D+01  0.534513D-01
      3  -0.113544D+00 -0.255646D+00 -0.743829D+00  0.534513D-01 -0.114287D+01
               121           122           123           124           125 
      1   0.397192D+01 -0.224798D+01  0.222408D+00 -0.127349D+01  0.163301D+00
      2  -0.224798D+01  0.596861D+01 -0.103337D+01  0.163301D+00 -0.132853D+01
      3   0.222408D+00 -0.103337D+01  0.135994D+01 -0.148821D+01  0.110081D+01
               126           127           128           129           130 
      1  -0.148821D+01 -0.170033D+00 -0.735401D+00  0.365881D+00 -0.189837D+01
      2   0.110081D+01 -0.735401D+00  0.748028D+00 -0.278753D+00  0.998715D-01
      3  -0.525707D+00  0.365881D+00 -0.278753D+00  0.110604D+01  0.514707D+00
               131           132           133           134           135 
      1   0.998715D-01  0.514707D+00  0.417509D+00  0.910955D-01  0.171130D+00
      2  -0.407318D+01  0.218976D+01  0.910955D-01  0.153806D+01 -0.130477D+01
      3   0.218976D+01 -0.256626D+01  0.171130D+00 -0.130477D+01  0.180437D+01
               136           137           138           139           140 
      1  -0.144952D+02  0.728140D+00  0.342787D+01  0.453106D+00 -0.125216D+01
      2   0.728140D+00 -0.851967D+00 -0.246177D+00 -0.125216D+01  0.631215D-01
      3   0.342787D+01 -0.246177D+00 -0.230408D+01 -0.231440D+00  0.718695D+00
               141           142           143           144           145 
      1  -0.231440D+00  0.143421D+01  0.447859D-01 -0.134375D+01 -0.136688D-01
      2   0.718695D+00  0.447859D-01  0.158679D+00  0.143574D+00  0.873882D+00
      3   0.218616D+00 -0.134375D+01  0.143574D+00  0.373791D+00  0.820572D+00
               146           147           148           149           150 
      1   0.873882D+00  0.820572D+00  0.146977D+01  0.231234D+00 -0.254067D+00
      2   0.100117D+01  0.754637D+00  0.231234D+00  0.314175D+01  0.282653D+01
      3   0.754637D+00  0.186810D+01 -0.254067D+00  0.282653D+01  0.347976D+01
               151           152           153           154           155 
      1   0.288907D+00  0.320237D-01  0.307748D+00 -0.165843D+02 -0.431715D+01
      2   0.320237D-01  0.209444D+01  0.243267D+01 -0.431715D+01 -0.254081D+01
      3   0.307748D+00  0.243267D+01  0.457083D+01  0.614642D+00 -0.216451D+00
               156           157           158           159           160 
      1   0.614642D+00 -0.693634D+01 -0.517422D+01  0.347220D+00  0.687402D+00
      2  -0.216451D+00 -0.517422D+01 -0.396165D+01  0.343795D+00  0.351720D+00
      3  -0.259074D+01  0.347220D+00  0.343795D+00 -0.128253D+01 -0.240121D+01
               161           162           163           164           165 
      1   0.351720D+00 -0.240121D+01 -0.909900D+01 -0.232730D+01 -0.273763D+01
      2   0.887309D+00 -0.109615D+01 -0.232730D+01 -0.266340D+00  0.171494D-01
      3  -0.109615D+01  0.135559D+01 -0.273763D+01  0.171494D-01 -0.998229D+00
               166           167           168           169           170 
      1  -0.503134D+01 -0.626285D+00 -0.762968D+00 -0.240284D+00  0.372971D-01
      2  -0.626285D+00 -0.718163D+00 -0.166225D+01  0.372971D-01 -0.445396D+00
      3  -0.762968D+00 -0.166225D+01 -0.175467D+01 -0.671468D+00 -0.105543D+01
               171           172           173           174           175 
      1  -0.671468D+00  0.867897D+01  0.195342D+01  0.100452D+01  0.568652D+01
      2  -0.105543D+01  0.195342D+01  0.641812D+00  0.276599D+00  0.769292D+00
      3  -0.670901D+01  0.100452D+01  0.276599D+00  0.229284D+01  0.931640D+00
               176           177           178           179           180 
      1   0.769292D+00  0.931640D+00  0.342565D+01  0.449308D+00  0.158003D+01
      2   0.328842D+00 -0.449345D+00  0.449308D+00 -0.815072D+00  0.475900D+00
      3  -0.449345D+00  0.124795D+01  0.158003D+01  0.475900D+00 -0.938103D+00
               181           182           183           184           185 
      1   0.109001D+02 -0.674731D-01 -0.327667D+00 -0.707393D+01  0.227500D+01
      2  -0.674731D-01  0.998548D+01 -0.180513D+01  0.227500D+01  0.386422D+01
      3  -0.327667D+00 -0.180513D+01  0.208748D+01  0.665223D+00 -0.175962D+01
               186           187           188           189           190 
      1   0.665223D+00  0.106658D+01  0.202357D+00  0.408479D+01  0.351572D+02
      2  -0.175962D+01  0.202357D+00 -0.273060D+01 -0.278567D+01 -0.612231D+01
      3  -0.118309D+01  0.408479D+01 -0.278567D+01  0.712636D+00 -0.408358D+00
               191           192           193           194           195 
      1  -0.612231D+01 -0.408358D+00 -0.206455D+02  0.218760D+01  0.202720D+01
      2   0.511485D+01 -0.697878D-01  0.218760D+01 -0.142714D+02  0.204759D+01
      3  -0.697878D-01  0.319250D+01  0.202720D+01  0.204759D+01 -0.135083D+01
               196           197           198           199           200 
      1   0.223836D+01  0.103090D+01  0.593669D+01 -0.362081D+02  0.850990D+01
      2   0.103090D+01  0.161833D+01 -0.211823D+01  0.850990D+01 -0.858243D+01
      3   0.593669D+01 -0.211823D+01 -0.140523D+00  0.766147D+00  0.135082D+01
               201           202           203           204           205 
      1   0.766147D+00  0.237448D+02 -0.354502D+01 -0.658210D+00 -0.181337D+01
      2   0.135082D+01 -0.354502D+01  0.705326D+01 -0.196415D-01  0.344490D+00
      3  -0.411604D-01 -0.658210D+00 -0.196415D-01  0.230141D+01  0.194795D+00
               206           207           208           209           210 
      1   0.344490D+00  0.194795D+00 -0.878192D+01  0.394912D+00  0.393622D+00
      2   0.662941D+00  0.325223D+01  0.394912D+00 -0.182873D+01  0.248081D+00
      3   0.325223D+01 -0.178396D+01  0.393622D+00  0.248081D+00 -0.201183D+00
               211           212           213           214           215 
      1  -0.601065D+00  0.143656D+01 -0.654964D-01  0.753806D+00 -0.216030D+00
      2   0.143656D+01 -0.213326D+01  0.368215D+00 -0.216030D+00  0.327214D+00
      3  -0.654964D-01  0.368215D+00  0.868019D+00  0.463137D+00 -0.593968D+00
               216           217           218           219           220 
      1   0.463137D+00 -0.263070D+01  0.203921D+01 -0.232632D+00  0.416114D+01
      2  -0.593968D+00  0.203921D+01  0.195465D+01 -0.579814D+00 -0.113719D+01
      3  -0.630520D-01 -0.232632D+00 -0.579814D+00  0.131071D+01 -0.669932D+00
               221           222           223           224           225 
      1  -0.113719D+01 -0.669932D+00 -0.752468D+00 -0.460797D+00 -0.993343D+00
      2   0.390998D-02 -0.166738D+01 -0.460797D+00 -0.154810D+01 -0.328542D+01
      3  -0.166738D+01 -0.511950D+01 -0.993343D+00 -0.328542D+01  0.238447D+01
               226           227           228           229           230 
      1  -0.155232D+01 -0.180738D+01  0.419149D+00 -0.679815D+00 -0.196102D+01
      2  -0.180738D+01 -0.320342D+01  0.618315D+00 -0.196102D+01 -0.862210D+01
      3   0.419149D+00  0.618315D+00 -0.487485D+00  0.391218D+00  0.150202D+01
               231           232           233           234           235 
      1   0.391218D+00  0.273860D+00  0.523033D+00  0.737933D-01  0.487362D+01
      2   0.150202D+01  0.523033D+00  0.170857D+01 -0.642894D+00 -0.378913D+01
      3  -0.115692D+01  0.737933D-01 -0.642894D+00  0.350497D+00  0.372539D+00
               236           237           238           239           240 
      1  -0.378913D+01  0.372539D+00 -0.426488D+01  0.525743D+01 -0.803801D+00
      2   0.397218D+01 -0.384508D+00  0.525743D+01 -0.808874D+01  0.938364D+00
      3  -0.384508D+00  0.584972D+00 -0.803801D+00  0.938364D+00 -0.100593D+01
               241           242           243           244           245 
      1   0.478917D+00 -0.835302D+00 -0.113321D+00  0.284988D+01  0.262184D+01
      2  -0.835302D+00  0.119320D+01 -0.475666D+00  0.262184D+01  0.140540D+01
      3  -0.113321D+00 -0.475666D+00  0.316801D+00 -0.638902D+00 -0.371430D+00
               246           247           248           249           250 
      1  -0.638902D+00  0.400676D+01  0.304097D+01 -0.747586D+00 -0.930533D+00
      2  -0.371430D+00  0.304097D+01  0.517587D+01 -0.102472D+01 -0.722812D+00
      3   0.371705D+00 -0.747586D+00 -0.102472D+01  0.868291D+00  0.303416D+00
               251           252           253           254           255 
      1  -0.722812D+00  0.303416D+00 -0.785951D+00 -0.320216D+00 -0.693751D+00
      2  -0.111251D+01  0.195809D+00 -0.320216D+00 -0.224479D+00  0.857301D-01
      3   0.195809D+00 -0.192154D+00 -0.693751D+00  0.857301D-01 -0.102241D+01
               256           257           258           259           260 
      1   0.408847D+00  0.118934D+01 -0.775589D+00 -0.322040D+01 -0.116756D+01
      2   0.118934D+01  0.148776D+01 -0.150300D+01 -0.116756D+01 -0.137515D+01
      3  -0.775589D+00 -0.150300D+01  0.231022D+01  0.229933D+01  0.207054D+01
               261           262           263           264           265 
      1   0.229933D+01  0.152507D+02 -0.107900D+01 -0.658392D+00 -0.352724D+01
      2   0.207054D+01 -0.107900D+01  0.100485D+01  0.107024D+00  0.149940D+01
      3  -0.634831D+01 -0.658392D+00  0.107024D+00  0.113608D+01  0.259400D+00
               266           267           268           269           270 
      1   0.149940D+01  0.259400D+00 -0.192778D+00  0.110364D+00  0.163709D+01
      2  -0.854448D+00  0.693964D-01  0.110364D+00  0.146467D+00  0.112552D+00
      3   0.693964D-01 -0.145557D+00  0.163709D+01  0.112552D+00 -0.337265D+00
               271           272           273           274           275 
      1   0.379707D-01  0.256775D+00  0.100676D+01  0.192285D+01  0.234054D+01
      2   0.256775D+00  0.346057D-01  0.400548D-01  0.234054D+01  0.353539D+01
      3   0.100676D+01  0.400548D-01 -0.547223D+00  0.106035D+01  0.217192D+01
               276           277           278           279 
      1   0.106035D+01  0.343263D+01  0.163114D+01  0.152891D+01
      2   0.217192D+01  0.163114D+01  0.223194D+01  0.231776D+01
      3   0.248276D+01  0.152891D+01  0.231776D+01  0.336050D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311543D+01  0.175160D+01 -0.687781D+00  0.349300D+01 -0.166398D+01
      2   0.683558D+01  0.281529D+01 -0.656408D+00  0.781328D+01 -0.456413D+01
      3   0.746495D+01  0.199843D+02 -0.424362D+01  0.249286D+02 -0.198282D+02
                 6             7             8             9            10 
      1   0.426476D+00 -0.486404D+01  0.851467D+01 -0.146517D+01 -0.489807D+00
      2   0.227752D+01 -0.193158D+02  0.283115D+01  0.330359D+00 -0.427151D+01
      3   0.196809D+01 -0.129365D+01  0.136991D+01  0.592373D+00  0.287477D+02
                11            12            13            14            15 
      1   0.285610D+01 -0.112775D+01 -0.102060D+01  0.969320D+00  0.810693D+00
      2   0.369193D+01 -0.544312D+01 -0.236447D+00 -0.362805D+01  0.744765D+00
      3   0.157305D+02 -0.372775D+01  0.471931D+02 -0.315667D+02  0.298960D+01
                16            17            18            19            20 
      1  -0.510473D+01  0.831519D+01 -0.142210D+01 -0.359603D+01 -0.368108D+00
      2  -0.169505D+02  0.283384D+01  0.118135D+01 -0.789830D+01 -0.253105D+01
      3  -0.684327D+01  0.383158D+01  0.539609D+00 -0.409125D+01 -0.219034D+02
                21            22            23            24            25 
      1   0.482520D+00 -0.627896D-01 -0.524164D-01 -0.134261D+01 -0.677690D+01
      2   0.658515D+00  0.776494D+00  0.176445D+01  0.682806D+00 -0.175905D+02
      3   0.434998D+01 -0.281792D+01  0.559483D+01 -0.162875D+01  0.524764D+01
                26            27            28            29            30 
      1   0.425252D+01 -0.972972D+00  0.430733D+00  0.127008D+01  0.319422D+00
      2   0.771994D+01 -0.829572D+00  0.387235D+01  0.128113D+01  0.924243D+00
      3  -0.198338D+01 -0.894934D+00 -0.190828D+02  0.939140D+01 -0.859214D+00
                31            32            33            34            35 
      1   0.432966D+01  0.345255D+01  0.107285D+01  0.293213D+01  0.114021D+02
      2   0.271859D+00  0.209845D+00  0.681936D+00 -0.109938D+02  0.103354D+01
      3   0.266401D+02 -0.281598D+01 -0.186627D+01 -0.194035D+01 -0.224241D+01
                36            37            38            39            40 
      1  -0.203912D+01  0.635550D+00 -0.216645D+00  0.517795D+01  0.161504D+01
      2   0.690919D+00 -0.204171D+01 -0.670771D+00  0.513007D+00 -0.217001D+01
      3  -0.227588D+01 -0.885578D+01 -0.149608D+01 -0.121894D+00  0.107461D+02
                41            42            43            44            45 
      1  -0.891217D+00 -0.248164D+01  0.154464D+02  0.160326D+01 -0.294761D+00
      2  -0.248725D+01 -0.157115D+01 -0.109840D+02 -0.597290D+01  0.241544D+01
      3  -0.491393D+01  0.167967D+00 -0.220646D+01  0.990513D+00 -0.492567D+01
                46            47            48            49            50 
      1  -0.992870D+00 -0.185037D+01 -0.486336D+01 -0.228577D+01  0.387776D+00
      2   0.191715D+01 -0.332663D+01  0.188390D+01 -0.404876D+01  0.447193D+01
      3   0.205044D+02 -0.233872D+02  0.356979D+01 -0.494777D+01  0.207167D+02
                51            52            53            54            55 
      1  -0.255164D+01 -0.108289D+02 -0.162188D+01  0.294872D+01  0.138029D+01
      2  -0.786770D+00 -0.148862D+02  0.213606D+01  0.827353D+00  0.590124D+01
      3  -0.257422D+01  0.319726D+01 -0.184057D+01  0.434626D+01  0.302461D+02
                56            57            58            59            60 
      1  -0.350961D+01 -0.488994D+01 -0.245909D+01  0.113071D+01 -0.198278D+01
      2  -0.340255D+01 -0.329123D+01 -0.542843D+01  0.292700D+01 -0.229569D+01
      3  -0.113353D+02  0.193538D+01 -0.550028D+01  0.197633D+02 -0.629037D+00
                61            62            63            64            65 
      1  -0.113795D+02 -0.141103D+01  0.199935D+01 -0.628865D+00 -0.491843D+00
      2  -0.187856D+02 -0.150869D+01  0.476280D+01  0.119195D+01  0.867628D+00
      3   0.440912D+01 -0.417184D+00  0.112340D+02  0.140472D+01  0.129776D+00
                66            67            68            69            70 
      1  -0.166591D+01 -0.531636D+00 -0.141618D+01 -0.285729D+01 -0.728214D+00
      2   0.621264D+00  0.126442D+01 -0.654966D-01  0.178393D+01 -0.226475D+01
      3   0.143150D+00  0.393573D+01 -0.512415D+01  0.697959D+00 -0.408714D-01
                71            72            73            74            75 
      1   0.221589D+01  0.160872D+00 -0.324748D+00  0.266240D+00  0.219902D+01
      2  -0.937234D+00  0.135102D+00 -0.782622D+00 -0.157660D-01  0.129125D+01
      3   0.885228D+00  0.438849D+00 -0.829294D+01  0.177459D+01 -0.495511D-01
                76            77            78            79            80 
      1  -0.118296D+01  0.850516D+00 -0.409823D+01 -0.273223D+01  0.144555D+01
      2  -0.411362D+00  0.651830D+00 -0.227529D+01 -0.176418D+01 -0.174108D+00
      3   0.400592D+01  0.121116D+01  0.396084D+00  0.442590D+00 -0.460185D+00
                81            82            83            84            85 
      1   0.505252D+00  0.753936D+00  0.484320D+00 -0.212030D+01  0.768101D+00
      2   0.488343D+00  0.104819D+01  0.516207D+00  0.105011D+01  0.733273D+00
      3   0.104840D+01  0.714868D+01  0.342293D+01 -0.118239D+01  0.531598D+01
                86            87            88            89            90 
      1   0.137434D+01 -0.456099D+01  0.117665D+01  0.185576D+01  0.457506D+00
      2   0.617156D+00  0.143954D+01 -0.887080D+00  0.385209D+00 -0.543451D+00
      3   0.357078D+01 -0.114092D+01 -0.138318D+01 -0.126111D+01 -0.393750D+00
                91            92            93            94            95 
      1   0.268589D+01  0.108977D+01 -0.179579D+01  0.490031D+01 -0.499337D+00
      2  -0.574146D+01 -0.197853D+01 -0.643011D+01 -0.265493D+01 -0.873921D+01
      3   0.101054D+02  0.324353D+00  0.254144D+01  0.200210D+02 -0.180209D+02
                96            97            98            99           100 
      1  -0.219853D+01 -0.268010D+01  0.538207D+01  0.127945D+01  0.129799D+01
      2  -0.309586D+01 -0.325601D+02 -0.392641D+00  0.380588D+01 -0.122506D+02
      3   0.782147D+01  0.120393D+00  0.110998D+02  0.818902D+01  0.709995D+00
               101           102           103           104           105 
      1  -0.600804D+01  0.615138D+00 -0.251606D+01  0.434099D+01 -0.113511D+02
      2   0.206409D+01  0.172470D+02 -0.379911D+00  0.184481D+02  0.627829D+01
      3  -0.134164D+02 -0.107054D+01 -0.804017D+01  0.812428D+01 -0.154389D+02
               106           107           108           109           110 
      1   0.310894D+01 -0.551853D+01 -0.514228D+01 -0.317661D+01  0.127178D+01
      2   0.158520D+02  0.326731D+01 -0.358561D+01  0.126686D+02  0.494250D+01
      3   0.511437D+01 -0.146026D+02 -0.775754D+01 -0.701921D+01  0.856984D+01
               111           112           113           114           115 
      1   0.953659D+01 -0.914337D+01 -0.699513D+01 -0.815162D+01  0.848823D+01
      2   0.207850D+01  0.616614D+01  0.416383D+01 -0.816428D+01  0.583471D+01
      3  -0.721555D+01  0.863549D+01  0.156138D+02 -0.261793D+01 -0.115782D+02
               116           117           118           119           120 
      1  -0.126395D+00  0.542437D+01  0.129832D+01 -0.109146D+01  0.105014D+01
      2  -0.206890D+01  0.432189D+01  0.301031D+01 -0.107990D+01  0.483793D+01
      3  -0.597656D+01 -0.429303D+01  0.876700D+01 -0.608309D+01 -0.181796D+00
               121           122           123           124           125 
      1  -0.131304D+01  0.246760D+01 -0.309918D+01  0.894999D+00 -0.465105D+00
      2  -0.157603D+01  0.498216D+01 -0.499228D+01  0.310590D+01 -0.366722D+01
      3  -0.124778D+01  0.209684D+02 -0.400402D+01 -0.958678D+00 -0.514181D+01
               126           127           128           129           130 
      1   0.779339D+00 -0.251671D+01  0.264375D+01 -0.820097D+00  0.105163D+01
      2   0.217684D+01 -0.279154D+01  0.309741D+01 -0.436890D+01  0.284365D+01
      3   0.257636D+01 -0.473646D+01  0.374691D+01 -0.143430D+01  0.345293D+01
               131           132           133           134           135 
      1  -0.110909D+02  0.340804D+01 -0.312033D+00  0.495267D+01 -0.294882D+01
      2  -0.997765D+01  0.894004D+01 -0.240374D+01  0.496780D+01 -0.700995D+01
      3  -0.173166D+02  0.914294D+01  0.430103D-01  0.594755D+01 -0.514988D+01
               136           137           138           139           140 
      1  -0.134096D+01 -0.242972D+01  0.813653D+00 -0.241459D+01 -0.746202D+00
      2   0.114268D+02 -0.132602D+00  0.692071D+01  0.244594D+00 -0.884069D+00
      3  -0.437543D+01 -0.577292D+01  0.701726D+00 -0.388232D+01 -0.723041D+00
               141           142           143           144           145 
      1   0.447420D+00  0.137821D-01  0.135269D+01  0.166679D+00  0.184798D+01
      2  -0.456387D+00  0.173405D+01  0.517582D-01  0.973877D+00 -0.518742D+01
      3   0.264063D+01 -0.524567D+00  0.259122D+01 -0.212601D+00  0.386921D+01
               146           147           148           149           150 
      1   0.303561D+01  0.203481D+00  0.186783D+01  0.608810D+01  0.260680D+01
      2  -0.455083D+01 -0.800747D+01 -0.294611D+01 -0.120458D+02 -0.129060D+02
      3   0.438547D+01  0.292968D+01  0.396636D+01  0.114935D+02  0.102141D+02
               151           152           153           154           155 
      1  -0.238189D+00  0.489069D+01  0.249818D+01  0.354511D+01  0.708900D+00
      2  -0.431116D+01 -0.973551D+01 -0.176436D+02 -0.114570D+02 -0.190187D+01
      3   0.951719D-01  0.759536D+01  0.912213D+01 -0.797237D+01 -0.204746D+02
               156           157           158           159           160 
      1  -0.584305D+01  0.645988D+01  0.432284D+01 -0.352273D+01 -0.347811D+01
      2   0.196261D+02 -0.125845D+01 -0.427662D+01  0.109880D+02  0.669751D+01
      3   0.244809D+00 -0.166875D+02 -0.223619D+02  0.591349D+00  0.277287D+01
               161           162           163           164           165 
      1   0.158463D+01  0.147268D+01  0.414318D+01  0.206063D+01 -0.274831D+01
      2   0.398418D+01 -0.852312D+01 -0.960065D+01 -0.429122D+01  0.222089D+01
      3   0.328002D+01 -0.304749D+01 -0.618178D+01 -0.392468D+01  0.123145D+01
               166           167           168           169           170 
      1   0.652600D+01  0.406496D+01  0.209831D+01 -0.245529D+00  0.696340D+01
      2  -0.803858D+01  0.506691D+01  0.726036D+01 -0.412170D+01  0.308202D+01
      3   0.342906D+00 -0.420716D+01 -0.832765D+01  0.309530D+01 -0.207157D+01
               171           172           173           174           175 
      1  -0.274262D+01 -0.637618D+01 -0.286567D+01  0.512356D+00 -0.748094D+01
      2   0.217506D+02  0.191336D+02  0.351157D+01 -0.584574D+01  0.788835D+01
      3  -0.360279D+01  0.213037D+01  0.231774D+01  0.150637D+01  0.715006D+01
               176           177           178           179           180 
      1  -0.246595D+01 -0.170979D+01 -0.321365D-01  0.305955D-01 -0.549405D+00
      2   0.318142D+01 -0.370390D+01 -0.230567D+01 -0.875984D+00  0.443029D+01
      3   0.100913D+01  0.373928D+00  0.142393D+01  0.592715D+00  0.732466D+00
               181           182           183           184           185 
      1  -0.199012D+00  0.192203D+01  0.504559D+01  0.256121D+01 -0.680192D+00
      2  -0.631085D+01 -0.254608D+01  0.612036D+01 -0.970923D+00 -0.708600D+01
      3  -0.270148D+02 -0.146286D+02  0.305061D+01 -0.859549D+01 -0.235477D+02
               186           187           188           189           190 
      1  -0.266284D+01  0.140444D+02  0.412829D+01 -0.227623D+01 -0.136456D+01
      2  -0.154174D+01 -0.325381D+01 -0.891614D+01  0.106863D+01 -0.462680D+01
      3   0.530868D+01  0.252061D+01  0.723544D+01 -0.239900D+01  0.848696D+01
               191           192           193           194           195 
      1   0.295329D+01 -0.439687D+00  0.273573D+01  0.175288D+01  0.366490D+01
      2   0.425220D+01  0.164772D+00  0.109280D+02  0.212447D+01 -0.296436D+01
      3   0.188038D+02 -0.369891D+01  0.396729D+02  0.192898D+02 -0.526143D+01
               196           197           198           199           200 
      1  -0.311172D+01  0.122860D+02 -0.297293D+01 -0.378228D-01 -0.189500D+01
      2  -0.479234D+00 -0.510490D+01  0.946581D+00  0.101354D+01 -0.140432D+01
      3  -0.722896D+01 -0.421868D+01  0.561915D+01 -0.242360D+02 -0.899314D+01
               201           202           203           204           205 
      1   0.466091D+00 -0.167231D+01  0.130889D+01 -0.340791D+01 -0.364869D+01
      2   0.369068D+01 -0.687940D+01  0.389010D+01  0.443557D+01 -0.173283D+02
      3   0.206669D+01  0.179918D+01 -0.150533D+01 -0.173042D+01  0.404162D+01
               206           207           208           209           210 
      1   0.433220D+01  0.264506D+00  0.122354D+01 -0.267351D+01  0.725823D+00
      2   0.140922D+02 -0.430489D+01  0.381692D+01 -0.465548D+01  0.120308D+02
      3  -0.360099D+01 -0.663817D+01  0.882381D+01 -0.358220D+02  0.386395D+01
               211           212           213           214           215 
      1   0.501973D+00 -0.757631D+00 -0.571077D+01  0.245863D+01 -0.658997D+00
      2  -0.320294D-01  0.245426D+01  0.576913D+01 -0.495269D+01 -0.356253D+01
      3   0.166498D+01  0.122134D+02 -0.286122D+01 -0.545153D-01  0.120218D+01
               216           217           218           219           220 
      1   0.983701D+00 -0.119971D+01  0.416741D+00 -0.102783D+01  0.218712D+01
      2  -0.761502D+00 -0.560421D+01 -0.129742D+01  0.767797D+01 -0.342963D+01
      3   0.151852D+01 -0.305132D+02 -0.283743D+01  0.347811D+01  0.692106D+01
               221           222           223           224           225 
      1   0.329179D+01  0.497964D+01  0.901776D+01  0.639963D+01 -0.143550D+01
      2  -0.703374D+01 -0.312137D+02 -0.690365D+01 -0.199872D+02  0.150914D+02
      3   0.170513D+02  0.744633D+01  0.393471D+01  0.598767D+01  0.254074D+02
               226           227           228           229           230 
      1   0.211285D+00 -0.318123D+00 -0.200399D+01  0.111951D+00 -0.782035D+00
      2   0.204225D+01  0.182008D+01 -0.120753D+00  0.138998D+01  0.354862D+01
      3   0.950142D+01  0.803224D+01 -0.198600D+01  0.698837D+01  0.179193D+02
               231           232           233           234           235 
      1  -0.414527D+01  0.147183D+01  0.184159D+01  0.341512D+00 -0.816796D+00
      2  -0.679600D+00 -0.485401D+00 -0.129681D+01  0.137802D+00 -0.985103D+00
      3  -0.356938D+01 -0.199023D+01 -0.387721D+01  0.488287D+00 -0.340651D+00
               236           237           238           239           240 
      1   0.912230D+00  0.212503D+01 -0.249222D+00 -0.800779D+00 -0.370766D+01
      2   0.112774D+00  0.253410D+01 -0.110781D+01  0.114723D+01 -0.389543D+01
      3  -0.555534D+01  0.510288D+00 -0.595814D+01  0.158169D+02 -0.127285D+01
               241           242           243           244           245 
      1  -0.256706D+01  0.114251D+01  0.593617D+00  0.217239D+00 -0.388913D-01
      2  -0.209423D+01 -0.144221D+01  0.127810D+01 -0.815906D+00 -0.756297D+00
      3   0.194841D+01 -0.232777D+01  0.189438D+01 -0.148426D+01 -0.252259D+01
               246           247           248           249           250 
      1  -0.107847D+01  0.238321D+00 -0.215728D+00 -0.267158D+01 -0.550841D+00
      2   0.125717D+01 -0.857344D+00 -0.276921D+01  0.298896D+01 -0.111775D+01
      3   0.428441D+00 -0.516335D+00 -0.134687D+02  0.229214D+01  0.554227D+00
               251           252           253           254           255 
      1   0.155463D+01  0.323737D+00 -0.131599D+00  0.608971D+00  0.137242D+01
      2  -0.706546D+00 -0.235870D+00 -0.649461D+01  0.729280D+00 -0.548138D+01
      3   0.300679D+01 -0.241589D-01  0.350675D-01  0.286712D+01 -0.238238D+01
               256           257           258           259           260 
      1  -0.302667D+00 -0.292883D+00 -0.187459D+01 -0.163502D+01  0.135186D+01
      2  -0.324613D+01 -0.818561D+01  0.132216D+02  0.714795D+01  0.119344D+02
      3  -0.402063D+01 -0.120810D+02  0.992763D+01  0.417894D+01  0.101727D+02
               261           262           263           264           265 
      1   0.502755D+01  0.673050D+00 -0.568238D+00 -0.437767D+00 -0.594668D+00
      2  -0.350423D+02  0.122561D+01  0.458343D-01  0.857764D+01  0.425411D+00
      3  -0.160165D+02  0.149349D+02 -0.984171D+01 -0.855706D+00 -0.871504D+01
               266           267           268           269           270 
      1   0.173856D+00 -0.765633D+00 -0.119302D+01  0.167872D+00  0.184034D+00
      2   0.925868D+00 -0.113550D+01  0.791203D+01  0.669285D+00 -0.157638D+01
      3   0.628166D+01 -0.533160D+00 -0.889559D+00 -0.816337D+00 -0.611406D+00
               271           272           273           274           275 
      1  -0.267249D+00  0.731835D-01  0.904797D+00 -0.119922D+01 -0.255873D+01
      2   0.683742D+01  0.725598D+00 -0.244429D+01  0.492686D+01  0.111676D+02
      3  -0.314458D+01  0.168105D+01  0.527555D+00 -0.923852D+01 -0.246937D+02
               276           277           278           279 
      1  -0.449835D+01 -0.248618D+01 -0.133201D+01 -0.521896D+01
      2   0.141855D+02  0.524259D+01  0.128977D+02  0.181608D+02
      3  -0.134408D+02 -0.620773D+01 -0.149503D+02 -0.155044D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.748382D+02  0.468004D+02 -0.484686D+01 -0.738382D+02  0.131972D+01
      2   0.382288D+02 -0.325643D+02  0.402515D+01  0.381199D+02  0.757812D+01
      3   0.366094D+02 -0.142361D+02  0.821710D+00  0.357183D+02 -0.889784D+01
      4   0.259568D+02  0.101739D+02 -0.351379D+01  0.905511D+01 -0.213272D+02
      5  -0.820784D+01 -0.417666D+01  0.206204D-01 -0.529452D+01  0.721895D+01
      6   0.227019D+01  0.201932D+01  0.156554D+01  0.415833D+01 -0.566412D+01
                 6             7             8             9            10 
      1   0.278675D+01  0.182684D+02 -0.517560D+01 -0.104661D+02  0.113909D+03
      2  -0.451444D+01 -0.849071D+01  0.192300D+01 -0.582428D+00 -0.545379D+02
      3   0.172769D+01 -0.977765D+01  0.325260D+01  0.110485D+02 -0.593711D+02
      4   0.404541D+01 -0.316359D+01  0.326740D+01 -0.667445D+00  0.134162D+02
      5   0.303329D+01  0.158034D+01 -0.120601D+01  0.607563D+00 -0.199635D+00
      6  -0.237667D+00  0.141911D+01  0.393558D+01  0.121914D+01 -0.704293D+01
                11            12            13            14            15 
      1   0.280042D+01 -0.907692D+01  0.586051D+02 -0.369850D+02  0.244586D+01
      2  -0.667493D+01  0.508210D+01 -0.217285D+02  0.263053D+02 -0.475604D+01
      3   0.387451D+01  0.399482D+01 -0.368766D+02  0.106797D+02  0.231019D+01
      4   0.151447D+02 -0.539492D+01 -0.314466D+02  0.165961D+02 -0.743930D+00
      5  -0.791580D+01 -0.911509D+01  0.986119D+01 -0.219014D+01 -0.394000D-01
      6   0.461207D+01  0.162892D+01 -0.405488D+01 -0.925925D+00 -0.146567D+01
                16            17            18            19            20 
      1  -0.185939D+02  0.595911D+01 -0.420285D+01  0.396081D+02 -0.501666D+02
      2   0.801590D+01 -0.416875D+01 -0.317828D+01 -0.200240D+02  0.376158D+02
      3   0.105780D+02 -0.179035D+01  0.738113D+01 -0.195841D+02  0.125508D+02
      4   0.594520D+01 -0.309309D+01  0.372613D+01 -0.279751D+02 -0.119408D+02
      5   0.199137D+01  0.265858D+01  0.129253D+01  0.107121D+02  0.433739D+01
      6   0.452811D+01  0.348459D+01  0.184495D+01 -0.207486D+01 -0.112278D+01
                21            22            23            24            25 
      1   0.627782D+01  0.677749D+01  0.326627D+02 -0.560027D+01 -0.414844D+01
      2  -0.525423D+01 -0.189541D+02 -0.322087D+02  0.667006D+01  0.645054D+01
      3  -0.102358D+01  0.121766D+02 -0.453972D+00 -0.106979D+01 -0.230210D+01
      4   0.346255D+01  0.152151D+02 -0.259991D+01  0.238943D+01 -0.861200D+00
      5  -0.295928D+01 -0.706126D+01  0.306243D+01  0.600297D+01  0.421236D+01
      6   0.580996D+00  0.850098D+01  0.567958D+01  0.164726D+01  0.244329D+01
                26            27            28            29            30 
      1  -0.138829D+01 -0.739823D+01  0.509315D+01 -0.121554D+01  0.238409D+01
      2   0.523113D+01 -0.679119D+01 -0.185462D+02 -0.172574D+01 -0.103337D+01
      3  -0.384284D+01  0.141894D+02  0.134531D+02  0.294128D+01 -0.135072D+01
      4   0.498477D+01  0.379869D+01 -0.212873D+01  0.125152D+02  0.250900D+00
      5   0.853508D+01 -0.219145D+01 -0.116825D+02  0.230938D+01  0.889447D+01
      6   0.463571D+01 -0.205110D+00  0.917020D+01 -0.132195D+01 -0.258487D+01
                31            32            33            34            35 
      1   0.139701D+02 -0.664469D+02  0.916494D+01 -0.219555D+01  0.110131D+02
      2  -0.368173D+01  0.619916D+02 -0.127379D+02 -0.488154D+00 -0.117126D+02
      3  -0.102884D+02  0.445532D+01  0.357301D+01  0.268371D+01  0.699454D+00
      4  -0.397012D+02 -0.116128D+02  0.487967D+01  0.138714D+02  0.303679D+01
      5   0.123664D+02  0.540602D+01 -0.111580D+01  0.282717D+02 -0.565644D+01
      6  -0.144995D+01 -0.624726D+01 -0.232412D+01 -0.618233D+01  0.590718D+01
                36            37            38            39            40 
      1  -0.133249D+01 -0.233434D+01  0.666004D+02 -0.126435D+02 -0.191293D+02
      2  -0.695734D+01 -0.427471D+01 -0.520257D+02  0.763730D+01  0.200279D+02
      3   0.828983D+01  0.660904D+01 -0.145747D+02  0.500620D+01 -0.898605D+00
      4  -0.331099D+00  0.240040D+02 -0.107300D+02 -0.745068D+00  0.190087D+02
      5  -0.789797D+00 -0.385020D+01 -0.398642D+01  0.220169D+01  0.248418D+01
      6   0.492228D+01 -0.311116D+01  0.414595D+01 -0.914801D+01 -0.978146D+01
                41            42            43            44            45 
      1   0.290518D+02 -0.844047D+01  0.547942D+01 -0.142981D+02 -0.129780D+02
      2  -0.325069D+02  0.785153D+01 -0.958538D+01  0.157168D+02  0.267887D+01
      3   0.345507D+01  0.588943D+00  0.410596D+01 -0.141868D+01  0.102991D+02
      4   0.166740D+02 -0.712657D+01 -0.129944D+01 -0.559074D+01 -0.671082D+01
      5  -0.846035D+01 -0.595529D+01  0.167058D+02 -0.719083D+01  0.406677D+01
      6   0.907164D+01  0.516264D+01 -0.183802D+02  0.156564D+02  0.527144D+00
                46            47            48            49            50 
      1   0.277363D+01 -0.547352D+02  0.820337D+01  0.212920D+02  0.122385D+02
      2  -0.133787D+01  0.431248D+02 -0.400177D+01 -0.198138D+02 -0.165294D+02
      3  -0.143576D+01  0.116104D+02 -0.420159D+01 -0.147824D+01  0.429094D+01
      4  -0.208540D+02 -0.911109D+01  0.427563D+01  0.142008D+02 -0.964961D+01
      5   0.539117D+01  0.641395D+01 -0.738832D-01 -0.245948D+01  0.151314D+01
      6   0.341583D+01 -0.168818D+00  0.789864D+01  0.336289D+01  0.104391D+02
                51            52            53            54            55 
      1  -0.758567D+01 -0.494267D+01 -0.303112D+01 -0.196046D+02 -0.276150D+02
      2   0.840474D+01  0.665507D+01  0.945250D+01  0.775092D+01  0.112230D+02
      3  -0.819070D+00 -0.171240D+01 -0.642138D+01  0.118537D+02  0.163920D+02
      4   0.293953D+01  0.135402D+01  0.617766D+01  0.618636D+01 -0.222829D+01
      5   0.107066D+01  0.523244D+01  0.289523D+01 -0.335297D+00 -0.110448D+01
      6   0.443128D+01  0.577824D+01  0.194148D+02 -0.508618D+01  0.350088D+01
                56            57            58            59            60 
      1  -0.413035D+02  0.728326D+01  0.133625D+02  0.207174D+02 -0.933742D+01
      2   0.351117D+02 -0.271135D+01 -0.120042D+02 -0.214472D+02  0.892454D+01
      3   0.619176D+01 -0.457190D+01 -0.135837D+01  0.729804D+00  0.412876D+00
      4  -0.445046D+02  0.752558D+01  0.139700D+02 -0.281920D+01 -0.121460D+01
      5   0.107837D+02 -0.854202D+01 -0.273968D+01 -0.284377D+01 -0.170514D+01
      6  -0.294871D+01  0.895311D+01  0.298362D+01  0.101737D+02  0.334213D+01
                61            62            63            64            65 
      1  -0.217253D+01 -0.619408D+01 -0.244896D+02  0.302256D+01 -0.666730D+00
      2   0.552961D+01  0.115762D+02  0.751512D+01 -0.241592D+00  0.210422D+01
      3  -0.335708D+01 -0.538211D+01  0.169745D+02 -0.278097D+01 -0.143749D+01
      4  -0.258658D+01  0.277003D+01 -0.446844D+01  0.101463D+02  0.100862D+02
      5  -0.112644D+01 -0.862827D+01  0.587141D+01 -0.206873D+01 -0.216650D+01
      6   0.670102D+01  0.170885D+02 -0.560480D+01 -0.179410D+01 -0.139189D+01
                66            67            68            69            70 
      1   0.457971D+00 -0.298864D+01 -0.138382D+02  0.309839D+01  0.870536D+00
      2  -0.378279D-01  0.531672D+01  0.167592D+02 -0.122130D+01 -0.543368D+00
      3  -0.420143D+00 -0.232807D+01 -0.292100D+01 -0.187709D+01 -0.327169D+00
      4  -0.162481D+01  0.132880D+02  0.181127D+02 -0.307211D+01 -0.248738D+01
      5   0.294916D+01 -0.363306D+01 -0.331435D+01  0.373037D+01  0.183014D+01
      6   0.161426D+01 -0.285865D+01 -0.591291D+01  0.505397D+01  0.236790D+01
                71            72            73            74            75 
      1   0.207695D+01 -0.281294D+01 -0.103366D+01  0.705794D+01 -0.858420D+00
      2  -0.182513D+01  0.253015D+01  0.102625D+02 -0.158726D+02  0.132698D+01
      3  -0.251816D+00  0.282797D+00 -0.922884D+01  0.881462D+01 -0.468558D+00
      4  -0.340294D+01  0.255629D+01 -0.217319D+02  0.217110D+02 -0.232503D+01
      5   0.999444D+00 -0.104041D+01  0.182357D+01 -0.232983D+01  0.299236D+01
      6   0.300640D+01 -0.212529D+01 -0.113875D+01  0.145713D+01 -0.307550D+01
                76            77            78            79            80 
      1   0.120961D+02 -0.289805D+02  0.360151D+01 -0.252722D+01  0.467371D+01
      2  -0.227610D+02  0.467940D+02 -0.431170D+01  0.437534D+01 -0.658653D+01
      3   0.106649D+02 -0.178135D+02  0.710194D+00 -0.184812D+01  0.191282D+01
      4   0.238171D+02 -0.328610D+02  0.363552D+01 -0.342915D+01  0.437121D+01
      5  -0.322284D+01  0.408552D+01 -0.365969D+01  0.565286D+00 -0.234704D+01
      6   0.373598D+01 -0.526637D+01  0.692099D+01  0.716881D+00  0.364647D+01
                81            82            83            84            85 
      1  -0.159935D+01 -0.558291D+01 -0.103617D+02  0.235879D+01 -0.960835D+01
      2   0.304762D+01  0.100462D+02  0.167294D+02 -0.250197D+01  0.138819D+02
      3  -0.144827D+01 -0.446328D+01 -0.636769D+01  0.143182D+00 -0.427352D+01
      4  -0.311724D+01  0.119644D+02  0.188046D+02 -0.325052D+01  0.125904D+02
      5   0.116115D+01 -0.134038D+01 -0.181883D+01  0.289333D+01 -0.136701D+01
      6  -0.208672D+01 -0.253800D+01 -0.367389D+01  0.364052D+01 -0.294896D+01
                86            87            88            89            90 
      1  -0.398364D+02  0.757004D+01  0.238221D+01  0.815881D+01 -0.255369D+01
      2   0.564655D+02 -0.831848D+01 -0.318318D+01 -0.101391D+02  0.333855D+01
      3  -0.166291D+02  0.748446D+00  0.800969D+00  0.198029D+01 -0.784856D+00
      4   0.263268D+02 -0.426778D+01 -0.308048D+01 -0.503752D+01  0.345944D+01
      5  -0.183802D+01  0.223999D+01  0.111947D+01  0.277119D+01 -0.153032D+01
      6  -0.103990D+02  0.881610D+01  0.949061D+00  0.529579D+01 -0.299791D+01
                91            92            93            94            95 
      1  -0.364241D+00  0.189941D+01 -0.121601D+02 -0.499786D+01 -0.337788D+01
      2   0.629456D+01  0.214388D+01  0.991332D+00  0.106314D+02 -0.963371D+01
      3  -0.593032D+01 -0.404329D+01  0.111687D+02 -0.563350D+01  0.130116D+02
      4  -0.368605D+01 -0.148838D+02 -0.369461D+01 -0.168620D+02  0.358199D+02
      5  -0.182690D+01 -0.470485D+01 -0.211013D+02  0.112933D+01 -0.135679D+02
      6  -0.320066D+01  0.124892D+01  0.105591D+01 -0.284603D+01  0.289380D+01
                96            97            98            99           100 
      1  -0.251779D+01 -0.388358D+00 -0.423715D+01 -0.201086D+02 -0.729344D+02
      2   0.213776D+01 -0.122864D+02  0.875727D+01  0.192716D+02  0.403653D+02
      3   0.380035D+00  0.126747D+02 -0.452012D+01  0.837033D+00  0.325691D+02
      4  -0.156404D+02 -0.559770D+01 -0.175196D+02 -0.440235D+01  0.111222D+02
      5  -0.634282D+01 -0.563825D+02  0.500369D+00  0.159612D+02  0.368363D+02
      6   0.305660D+01  0.296081D+01 -0.179399D+00 -0.146064D+01 -0.364262D+01
               101           102           103           104           105 
      1   0.712641D+01  0.268521D+02  0.437916D+01  0.298181D+02  0.825077D+01
      2  -0.314025D+01 -0.660871D+01 -0.538230D+01 -0.529541D+01  0.393412D+00
      3  -0.398616D+01 -0.202434D+02  0.100314D+01 -0.245227D+02 -0.864418D+01
      4   0.172643D+02  0.129213D+01  0.158630D+02 -0.143014D+02  0.235393D+02
      5   0.859030D+00  0.113402D+02 -0.662374D+00  0.155291D+02  0.794955D+01
      6  -0.111139D+02 -0.324709D+01 -0.654298D+01  0.381995D+01 -0.192363D+02
               106           107           108           109           110 
      1   0.476766D+01  0.820471D+01  0.210276D+02 -0.709472D+02 -0.214590D+02
      2   0.143293D+02 -0.316187D+01 -0.212916D+02  0.267844D+02  0.242268D+01
      3  -0.190970D+02 -0.504284D+01  0.263962D+00  0.441628D+02  0.190363D+02
      4   0.140879D+01  0.203782D+02  0.508095D+01 -0.364706D+02 -0.226716D+02
      5   0.368262D+02  0.263847D+01 -0.274447D+02  0.546230D+01 -0.666184D+00
      6  -0.353857D+01 -0.144526D+02 -0.719711D+01 -0.129250D+00  0.207202D+01
               111           112           113           114           115 
      1   0.543072D+01 -0.303772D+02 -0.136685D+02  0.852207D+01  0.285860D+02
      2  -0.345397D+01  0.663281D+01  0.471513D+01 -0.123902D+01 -0.120831D+02
      3  -0.197675D+01  0.237444D+02  0.895337D+01 -0.728305D+01 -0.165029D+02
      4   0.250729D+01 -0.102080D+02 -0.211396D+02  0.930694D+01  0.106494D+02
      5  -0.353314D+01 -0.128309D+01  0.682150D+01 -0.440195D+01  0.187952D+02
      6  -0.400632D+01  0.276523D+01 -0.357690D+01  0.195335D+00  0.261232D+01
               116           117           118           119           120 
      1   0.531042D+01  0.191399D+02  0.752731D+01 -0.970991D+01  0.518110D+01
      2  -0.190217D+01 -0.216006D+01  0.285700D+01  0.415709D+00 -0.140913D+01
      3  -0.340824D+01 -0.169799D+02 -0.103843D+02  0.929421D+01 -0.377196D+01
      4   0.136726D+02  0.404545D+01 -0.211064D+02  0.206386D+02 -0.123934D+01
      5   0.284570D+01  0.429411D+01  0.632225D+01 -0.706194D+00  0.961929D+01
      6  -0.163315D+01 -0.124107D+01 -0.152665D+01  0.638887D+00 -0.102110D+01
               121           122           123           124           125 
      1  -0.158284D+02 -0.188602D+01 -0.264637D+00  0.653958D+01  0.149075D+01
      2   0.237008D+01  0.195708D+02 -0.309948D+01 -0.224351D+01 -0.469869D+01
      3   0.134583D+02 -0.176848D+02  0.336411D+01 -0.429606D+01  0.320795D+01
      4   0.229488D+02 -0.490436D+02  0.836408D+01 -0.315132D+01  0.115907D+02
      5  -0.223059D+01  0.753035D+01 -0.101577D+02  0.120921D+02 -0.832290D+01
      6   0.659027D+00 -0.260456D+01  0.445308D+01 -0.253327D+01  0.627910D+01
               126           127           128           129           130 
      1   0.289221D+01  0.123735D+01  0.696797D+01 -0.905785D+01  0.100234D+02
      2  -0.596742D+00 -0.124074D+01 -0.314772D+01  0.608280D+00 -0.669397D+01
      3  -0.229547D+01  0.339053D-02 -0.382025D+01  0.844957D+01 -0.332948D+01
      4  -0.903024D+01  0.403666D+01 -0.451774D+01  0.162220D+01  0.121794D+01
      5   0.410094D+01 -0.258667D+01 -0.109482D+01 -0.348820D+01 -0.891313D+01
      6  -0.251476D+01 -0.346137D+01  0.453090D+01 -0.175748D+01  0.647013D+00
               131           132           133           134           135 
      1  -0.159742D+02  0.869537D+01 -0.411756D+01  0.572795D+01 -0.114938D+02
      2   0.591618D+01  0.353033D+01  0.145977D+01  0.179066D+01 -0.168646D+01
      3   0.100580D+02 -0.122257D+02  0.265779D+01 -0.751861D+01  0.131803D+02
      4   0.291034D+02 -0.154209D+02 -0.903287D+00 -0.104395D+02  0.910268D+01
      5  -0.115236D+02  0.162047D+02  0.223055D+01  0.733685D+01 -0.888750D+01
      6  -0.198223D+02  0.133029D+02  0.455499D+00  0.106028D+02 -0.753187D+01
               136           137           138           139           140 
      1   0.109933D+03 -0.566789D+01 -0.192514D+02 -0.438142D+01  0.712056D+01
      2  -0.649137D+02  0.239476D+01  0.176825D+02  0.114086D+01 -0.462181D+01
      3  -0.450189D+02  0.327313D+01  0.156889D+01  0.324056D+01 -0.249875D+01
      4  -0.129641D+02  0.115612D+02  0.328060D+01  0.151342D+02 -0.136855D+01
      5  -0.609239D+02  0.366479D+01  0.284473D+02  0.237343D+01 -0.754028D+01
      6   0.491594D+01 -0.395313D+01 -0.196591D+01 -0.487238D+01  0.253191D+00
               141           142           143           144           145 
      1   0.608487D-03 -0.905618D+01 -0.978663D+00  0.996619D+01 -0.225821D+01
      2  -0.209710D+00  0.939592D+01 -0.142068D+00 -0.763550D+01 -0.438828D+00
      3   0.209101D+00 -0.339737D+00  0.112073D+01 -0.233069D+01  0.269704D+01
      4  -0.604266D+01  0.291672D+00 -0.338484D+01 -0.157203D+01 -0.404165D+01
      5  -0.149532D+01  0.184234D+02 -0.833763D+00 -0.785692D+01 -0.306512D+01
      6   0.430269D+01 -0.779539D+00  0.264469D+01  0.112590D+01  0.491395D+01
               146           147           148           149           150 
      1  -0.105340D+02 -0.156036D+02 -0.905025D+01 -0.202248D+02 -0.168672D+02
      2   0.420595D+01  0.171310D+01  0.585105D+01  0.857414D+01  0.273565D+00
      3   0.632804D+01  0.138905D+02  0.319920D+01  0.116506D+02  0.165936D+02
      4  -0.486870D+01 -0.265887D+01  0.171329D+01 -0.199410D+02 -0.186419D+02
      5  -0.139868D+00 -0.545274D+01  0.730245D+01 -0.144696D+02 -0.200725D+02
      6   0.671382D+01  0.588951D+01  0.723460D+00  0.190877D+02  0.195556D+02
               151           152           153           154           155 
      1  -0.605916D+01 -0.130449D+02 -0.260311D+02  0.161569D+03  0.342322D+02
      2   0.224919D+01 -0.330795D+00 -0.348585D+01 -0.714260D+02 -0.941060D+01
      3   0.380997D+01  0.133757D+02  0.295169D+02 -0.901428D+02 -0.248216D+02
      4   0.204415D+01 -0.135868D+02 -0.153217D+02  0.578906D+02  0.419772D+02
      5   0.345834D+01 -0.134015D+02 -0.240220D+02  0.101147D+02  0.370708D+01
      6   0.228005D+00  0.151688D+02  0.185540D+02 -0.250750D+00  0.929838D+00
               156           157           158           159           160 
      1  -0.653546D+01  0.467112D+02  0.327753D+02 -0.428842D+01 -0.743732D+01
      2  -0.108368D+01 -0.105152D+02 -0.166474D+01 -0.687228D+00 -0.213585D+00
      3   0.761914D+01 -0.361960D+02 -0.311105D+02  0.497564D+01  0.765090D+01
      4  -0.579435D-01  0.594277D+02  0.498417D+02 -0.488700D+01 -0.455445D+01
      5   0.308881D+02  0.137966D+01 -0.209957D+00  0.149881D+02  0.304417D+02
      6   0.540901D+01  0.331427D+01  0.313363D+01  0.669287D+01  0.654201D+01
               161           162           163           164           165 
      1  -0.317055D+01  0.182892D+02  0.366883D+02  0.119322D+02  0.103924D+02
      2  -0.761429D+00 -0.103637D+02 -0.236128D+02 -0.418334D+01 -0.765810D+01
      3   0.393198D+01 -0.792552D+01 -0.130754D+02 -0.774888D+01 -0.273429D+01
      4  -0.800702D+01  0.119091D+02  0.194519D+02  0.106785D+02  0.155829D+01
      5   0.108755D+02 -0.763182D+01  0.230937D+02  0.309768D+01  0.170246D+02
      6   0.580768D+01 -0.327093D+00  0.860570D+01  0.164230D+01  0.466589D+00
               166           167           168           169           170 
      1   0.169669D+02 -0.581269D+01 -0.755213D+01 -0.459661D+01 -0.542244D+01
      2  -0.851620D+01  0.287446D+01  0.173784D+01 -0.210821D+01  0.142589D+01
      3  -0.845072D+01  0.293822D+01  0.581429D+01  0.670482D+01  0.399654D+01
      4   0.108724D+02  0.642232D+01  0.111092D+02 -0.168443D+01  0.281344D+01
      5   0.100574D+02  0.120225D+02  0.100085D+02  0.149808D+02  0.445820D+01
      6   0.244909D+01  0.642783D+01  0.121979D+02  0.368273D+00  0.102191D+02
               171           172           173           174           175 
      1  -0.271618D+02 -0.393000D+02 -0.803001D+01  0.839711D+01 -0.178669D+02
      2  -0.147399D+02  0.210937D+02  0.351778D+01  0.291446D+01  0.109970D+02
      3   0.419017D+02  0.182064D+02  0.451223D+01 -0.113116D+02  0.686989D+01
      4   0.292063D+01 -0.170848D+02 -0.730196D+01 -0.109522D+01 -0.859117D+01
      5   0.425419D+02 -0.169358D+02 -0.381618D+01 -0.115185D+02 -0.947246D+01
      6   0.759780D+01 -0.668339D+01 -0.402326D+01 -0.192654D+01 -0.336484D+01
               176           177           178           179           180 
      1  -0.791415D+01  0.235633D+01 -0.141608D+01  0.424594D+00 -0.901475D+01
      2   0.438535D+01  0.243244D+01  0.594731D+01  0.514225D+00  0.255630D+01
      3   0.352880D+01 -0.478876D+01 -0.453123D+01 -0.938819D+00  0.645845D+01
      4  -0.367226D+01  0.149626D+01 -0.406434D+01 -0.204871D+00 -0.324778D+01
      5   0.336305D+00 -0.733359D+01 -0.659449D+01 -0.168104D+01  0.434028D+00
      6  -0.222217D+01  0.192825D+01 -0.200590D+01  0.118835D+01 -0.194348D+01
               181           182           183           184           185 
      1   0.375658D+02  0.562133D+02 -0.119297D+02 -0.363340D+02  0.266811D+02
      2  -0.248870D+02 -0.421719D+02  0.546195D+01  0.246644D+02 -0.272505D+02
      3  -0.126788D+02 -0.140414D+02  0.646778D+01  0.116695D+02  0.569317D+00
      4   0.184710D+02  0.267870D+02 -0.646746D+01  0.163553D+02  0.282831D+02
      5  -0.632465D+00 -0.927567D+01  0.121826D+02  0.235037D+01 -0.112541D+02
      6  -0.148317D+01  0.714984D+01 -0.961614D+01 -0.666761D+01  0.932697D+01
               186           187           188           189           190 
      1  -0.342927D+01  0.680193D+01 -0.107581D+02  0.694371D+00  0.130542D+03
      2   0.507499D+01 -0.125810D+02  0.145339D+02 -0.505049D+01 -0.714554D+02
      3  -0.164572D+01  0.577906D+01 -0.377576D+01  0.435612D+01 -0.590862D+02
      4  -0.111338D+02 -0.185202D+01 -0.137027D+02 -0.172773D+02 -0.166199D+02
      5  -0.533439D+01  0.264569D+02 -0.154105D+02  0.715173D+01  0.505901D+01
      6   0.405606D+01 -0.202580D+02  0.143080D+02 -0.127876D-01  0.194851D+00
               191           192           193           194           195 
      1  -0.310036D+02 -0.125438D+01 -0.845186D+02 -0.395670D+02  0.161066D+02
      2   0.126385D+02 -0.506441D+00  0.458414D+02  0.430014D+02 -0.161316D+02
      3   0.183651D+02  0.176082D+01  0.386772D+02 -0.343440D+01  0.250046D-01
      4   0.117003D+02 -0.971035D+00 -0.375416D+02 -0.533581D+02  0.998887D+01
      5  -0.900944D+00  0.387326D+01  0.160403D+02  0.100022D+02 -0.668533D+01
      6   0.213349D+01 -0.179747D+01  0.179590D+01 -0.112424D+02 -0.287754D+01
               196           197           198           199           200 
      1   0.123421D+02  0.120274D+02  0.186137D+02 -0.118576D+03 -0.785258D+01
      2  -0.790027D+01 -0.103838D+02 -0.170605D+02  0.570129D+02  0.137885D+02
      3  -0.444183D+01 -0.164365D+01 -0.155317D+01  0.615630D+02 -0.593593D+01
      4   0.153036D+02  0.568089D+01 -0.837815D+01 -0.139292D+02 -0.255021D+02
      5   0.416575D+02 -0.139738D+02  0.214403D+01  0.355409D+01  0.104942D+02
      6  -0.436704D+01  0.659526D+01  0.331463D+01  0.677040D+01 -0.505523D+01
               201           202           203           204           205 
      1   0.875300D+01  0.110144D+03  0.374516D+01 -0.910213D+01 -0.126193D+02
      2  -0.622124D+01 -0.682987D+02 -0.142080D+02  0.802677D+01  0.964843D+01
      3  -0.253176D+01 -0.418452D+02  0.104628D+02  0.107536D+01  0.297089D+01
      4   0.825326D+01  0.114785D+02  0.200597D+02  0.129782D+01  0.118829D+01
      5   0.455353D+01 -0.293589D+01  0.165969D+01  0.107697D+02  0.467491D+01
      6   0.868631D+00  0.320243D+01  0.909152D+01  0.455032D+01  0.196149D+01
               206           207           208           209           210 
      1  -0.317527D+00 -0.122267D+02  0.572518D+01 -0.117353D+01  0.275022D+01
      2   0.351352D+01 -0.479294D+01 -0.378126D+01 -0.190270D+00  0.574444D+00
      3  -0.319599D+01  0.170196D+02 -0.194391D+01  0.136380D+01 -0.332467D+01
      4   0.653604D+01  0.168427D+02 -0.162551D+02  0.131610D+02  0.243039D+01
      5   0.203049D+02 -0.834913D+01  0.201968D+01  0.158324D+01  0.218291D+02
      6   0.793031D+01  0.736813D+00  0.162396D+01 -0.654323D+00  0.718687D+00
               211           212           213           214           215 
      1  -0.134341D+02  0.157067D+01  0.259584D+01  0.405878D+01 -0.280483D+00
      2   0.509797D+01  0.208186D+01  0.201687D+01 -0.182179D+01  0.112796D+01
      3   0.833610D+01 -0.365253D+01 -0.461271D+01 -0.223699D+01 -0.847482D+00
      4   0.268948D+02 -0.235853D+02  0.399686D+01 -0.181388D+01  0.127583D+01
      5  -0.334992D+00  0.529442D+01  0.101667D+02  0.131176D+02 -0.754394D+01
      6  -0.682809D+00  0.267988D+01  0.853310D+01 -0.267861D+01  0.451738D+01
               216           217           218           219           220 
      1   0.271694D+01 -0.863846D+02  0.217070D+02  0.316293D+01  0.389450D+02
      2  -0.275467D+01  0.474224D+02 -0.108140D+02 -0.108514D+01 -0.193781D+02
      3   0.377348D-01  0.389622D+02 -0.108930D+02 -0.207779D+01 -0.195669D+02
      4  -0.767469D+01  0.252170D+02  0.147023D+02 -0.614077D+01 -0.977211D+01
      5  -0.221790D+01  0.206516D+01 -0.604442D+01  0.905715D+01 -0.783829D+01
      6  -0.176141D+01 -0.332091D+01 -0.103062D+01  0.238098D+01 -0.271054D+01
               221           222           223           224           225 
      1   0.694652D+01 -0.894774D+01 -0.136241D+01 -0.523525D+01  0.163541D+02
      2  -0.577374D+01 -0.405147D+01 -0.300430D+01 -0.299313D+01 -0.634760D+01
      3  -0.117279D+01  0.129992D+02  0.436670D+01  0.822838D+01 -0.100065D+02
      4  -0.112844D+02 -0.182580D+02 -0.608177D+01 -0.152437D+02 -0.362182D+02
      5  -0.185921D+02 -0.592639D+02 -0.961335D+01 -0.354656D+02  0.242385D+02
      6  -0.433909D+01 -0.149623D+02 -0.669095D+01 -0.999149D+01  0.716047D+01
               226           227           228           229           230 
      1  -0.994017D+01 -0.182948D+02  0.415745D+01 -0.105287D+02 -0.468876D+02
      2   0.101659D+02  0.194211D+02 -0.297051D+01  0.116136D+02  0.558570D+02
      3  -0.225781D+00 -0.112633D+01 -0.118694D+01 -0.108486D+01 -0.896940D+01
      4   0.420263D+01  0.655669D+01 -0.106323D+01  0.311388D+01 -0.422681D+01
      5  -0.510944D+00 -0.634836D+00  0.977888D+00  0.246373D-01  0.215526D+01
      6  -0.274153D+01 -0.470029D+01  0.374635D+01 -0.298481D+01 -0.132115D+02
               231           232           233           234           235 
      1   0.928027D+01  0.287327D+01  0.998007D+01 -0.290793D+01  0.183383D+02
      2  -0.809990D+01 -0.305028D+01 -0.998065D+01  0.328929D+01  0.118145D+01
      3  -0.118037D+01  0.177014D+00  0.584404D-03 -0.381357D+00 -0.195197D+02
      4   0.100982D+01 -0.361360D+00  0.777154D+00  0.104217D+01 -0.375052D+02
      5  -0.163740D+01  0.191420D+01 -0.585666D-01 -0.207838D+00  0.605986D+01
      6   0.904380D+01  0.193690D+00  0.598649D+01 -0.315167D+01 -0.277711D+01
               236           237           238           239           240 
      1  -0.991267D+01  0.104676D+01 -0.654559D+01 -0.398287D+01  0.330443D+00
      2  -0.702360D+01 -0.185686D-01 -0.138183D+02  0.310507D+02 -0.182565D+01
      3   0.169363D+02 -0.102819D+01  0.203639D+02 -0.270678D+02  0.149521D+01
      4   0.368884D+02 -0.376356D+01  0.437956D+02 -0.604407D+02  0.685378D+01
      5  -0.529874D+01  0.558545D+01 -0.797040D+01  0.942150D+01 -0.764664D+01
      6   0.285254D+01 -0.369353D+01  0.596700D+01 -0.788822D+01  0.730930D+01
               241           242           243           244           245 
      1  -0.166908D+00  0.880095D+00 -0.139927D+01  0.164296D+02  0.122682D+02
      2   0.312412D+01 -0.371536D+01  0.256017D+01 -0.605141D+01 -0.399084D+01
      3  -0.295721D+01  0.283527D+01 -0.116089D+01 -0.103782D+02 -0.827739D+01
      4  -0.615636D+01  0.813382D+01 -0.511531D+01  0.213427D+02  0.153914D+02
      5   0.120243D+01 -0.453442D+01  0.230329D+01 -0.449538D+01 -0.288445D+01
      6  -0.575782D+00  0.456233D+01 -0.231573D+01 -0.114628D+01 -0.109484D+01
               246           247           248           249           250 
      1  -0.313083D+01  0.153786D+02 -0.923146D-02 -0.727045D+00 -0.370096D+01
      2   0.155787D+01 -0.206836D+01  0.111721D+02 -0.241728D+00  0.159936D+01
      3   0.157296D+01 -0.133102D+02 -0.111629D+02  0.968773D+00  0.210160D+01
      4  -0.357157D+01  0.263265D+02  0.362865D+02 -0.698248D+01 -0.591909D+01
      5   0.315918D+01 -0.491152D+01 -0.560638D+01  0.585376D+01  0.232103D+01
      6   0.126482D+01 -0.223500D+01 -0.390095D+01  0.464153D+01  0.262309D+01
               251           252           253           254           255 
      1  -0.111109D+01 -0.575823D+00 -0.193904D+01  0.457307D+00 -0.129599D+02
      2  -0.909416D+00  0.166084D+01 -0.163562D+00 -0.688151D+00  0.425570D+01
      3   0.202051D+01 -0.108501D+01  0.210260D+01  0.230844D+00  0.870418D+01
      4  -0.771957D+01  0.260719D+01 -0.283513D+01 -0.273586D+01 -0.650803D+00
      5   0.974755D+00 -0.142414D+01 -0.815738D+01 -0.164109D-01 -0.664379D+01
      6   0.198768D+01 -0.187204D+01 -0.169167D+01  0.930983D+00 -0.268970D+01
               256           257           258           259           260 
      1   0.282460D+01 -0.216125D+00  0.182065D+01 -0.273158D+02 -0.212410D+01
      2  -0.152670D+01  0.951451D+00  0.384941D-01  0.180230D+02  0.246965D+01
      3  -0.129790D+01 -0.735326D+00 -0.185915D+01  0.929280D+01 -0.345543D+00
      4   0.144088D+02  0.177637D+02 -0.162371D+02 -0.153614D+02 -0.159002D+02
      5  -0.931549D+01 -0.150638D+02  0.252218D+02  0.276118D+02  0.216392D+02
      6  -0.337126D+01 -0.650230D+01  0.107606D+02  0.698997D+01  0.924445D+01
               261           262           263           264           265 
      1  -0.620904D+01  0.199452D+03 -0.149291D+02 -0.770913D+01 -0.407374D+02
      2  -0.102535D+02 -0.104874D+03  0.868312D+01  0.491375D+01  0.224657D+02
      3   0.164625D+02 -0.945782D+02  0.624601D+01  0.279538D+01  0.182717D+02
      4   0.231670D+02 -0.552382D+01  0.152986D+02  0.878129D+00  0.206459D+02
      5  -0.644222D+02 -0.114443D+02  0.148657D+01  0.172765D+02  0.332386D+01
      6  -0.155180D+02  0.182544D+01 -0.866217D+00  0.595231D+00 -0.138411D+01
               266           267           268           269           270 
      1   0.194005D+02  0.203490D+01 -0.249805D+01  0.609090D+00  0.166663D+02
      2  -0.965081D+01 -0.936147D+00  0.244283D+01  0.786190D-01 -0.997938D+01
      3  -0.974965D+01 -0.109875D+01  0.552220D-01 -0.687709D+00 -0.668690D+01
      4  -0.107273D+02  0.717788D+00  0.108145D+01  0.159310D+01  0.143753D+01
      5   0.340991D+00 -0.244152D+01  0.236214D+02  0.521364D+00 -0.402617D+01
      6   0.111681D+01  0.149086D+01  0.636522D+00  0.181164D+01 -0.294157D+00
               271           272           273           274           275 
      1   0.652389D+01  0.616374D+01  0.108155D+02  0.160833D+02  0.579231D+01
      2  -0.207595D+01 -0.329937D+01 -0.563224D+01 -0.430088D+01  0.628192D+01
      3  -0.444794D+01 -0.286437D+01 -0.518325D+01 -0.117824D+02 -0.120742D+02
      4   0.462568D+01  0.137887D+01  0.275711D+01  0.291977D+02  0.415770D+02
      5   0.106837D+02  0.170614D+01 -0.367641D+01  0.129529D+02  0.240745D+02
      6   0.254785D+01  0.418727D-01 -0.174804D+01  0.465601D+01  0.839607D+01
               276           277           278           279 
      1   0.142189D+01  0.289020D+02  0.565372D+01 -0.156818D+01
      2   0.402249D+01 -0.131058D+02  0.723171D+00 -0.265638D+00
      3  -0.544438D+01 -0.157961D+02 -0.637690D+01  0.183382D+01
      4   0.242640D+02  0.212713D+02  0.257736D+02  0.256505D+02
      5   0.280482D+02  0.187987D+02  0.252079D+02  0.363733D+02
      6   0.931989D+01  0.642288D+01  0.898274D+01  0.101103D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.203986D+01      0.518480D+01      0.172946D+02
   y          0.124898D+01      0.317459D+01      0.105893D+02
   z          0.279794D+00      0.711167D+00      0.237220D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.269967D+03      0.400049D+02      0.445115D+02
   yx        -0.874666D+01     -0.129612D+01     -0.144213D+01
   yy         0.163260D+03      0.241926D+02      0.269179D+02
   zx        -0.992469D+01     -0.147069D+01     -0.163636D+01
   zy        -0.770018D+01     -0.114105D+01     -0.126959D+01
   zz         0.112642D+03      0.166918D+02      0.185721D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.193243D+03      0.286357D+02      0.318615D+02
   aniso      0.150256D+03      0.222657D+02      0.247739D+02
   xx         0.286417D+03      0.424426D+02      0.472238D+02
   yx        -0.110920D+02     -0.164367D+01     -0.182882D+01
   yy         0.173651D+03      0.257325D+02      0.286313D+02
   zx        -0.983504D+01     -0.145740D+01     -0.162158D+01
   zy        -0.813452D+01     -0.120541D+01     -0.134120D+01
   zz         0.119661D+03      0.177320D+02      0.197295D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.36125389         -1.41816607          0.38114616
     6          0.33537355          0.10439936          2.60215662
     6         -0.74473635         -0.48473850         -1.85458977
     6         -1.84788188          1.87242791         -1.95451860
     6         -1.85617608          3.37046125          0.25640695
     6         -0.80238746          2.51602034          2.46521111
     6          1.50757576         -3.83826483          0.50840758
     1         -0.70548700         -1.66899112         -3.52681280
     1         -2.71980433          5.22583667          0.19444790
     1         -0.83238018          3.69427354          4.13872995
     6         -3.06978166          2.83128605         -4.35832183
     6         -5.50723755          1.41894889         -5.01119237
     6         -1.26410705          2.87514876         -6.62690359
     1         -3.54284398          4.82613786         -4.06114158
     1         -5.12520359         -0.57863706         -5.34009455
     1         -6.35551079          2.19350511         -6.71679318
     1         -6.84621825          1.57249724         -3.45338823
     8         -1.92144060          2.57213029         -8.77187145
     8          1.17958667          3.40782598         -6.09285575
     1          1.42811583          3.39760480         -4.27866804
     6          2.55994471         -4.69700004          2.69697929
     6          2.53035262         -3.17759881          4.90482844
     6          1.44023797         -0.82133312          4.85845617
     8          3.63768205         -4.24871136          6.95464317
     6          3.69006929         -2.84861559          9.23896650
     1          1.53839465         -5.00695397         -1.17125557
     1          3.43762807         -6.53934371          2.81107885
     1          1.39938037          0.36530291          6.51867992
     1          4.73574033         -1.08085059          9.00807832
     1          4.64842044         -4.03782764         10.61233927
     1          1.77813230         -2.43037751          9.90326749

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.240816D+01      0.612094D+01      0.204172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.143884D+03      0.213215D+02      0.237233D+02
   yx        -0.390564D+02     -0.578757D+01     -0.643954D+01
   yy         0.173411D+03      0.256968D+02      0.285916D+02
   zx         0.490059D+02      0.726192D+01      0.807998D+01
   zy        -0.301572D+02     -0.446884D+01     -0.497226D+01
   zz         0.228573D+03      0.338710D+02      0.376866D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.193243D+03      0.286357D+02      0.318615D+02
   aniso      0.150256D+03      0.222657D+02      0.247739D+02
   xx         0.152945D+03      0.226641D+02      0.252172D+02
   yx        -0.421849D+02     -0.625116D+01     -0.695536D+01
   yy         0.185614D+03      0.275051D+02      0.306036D+02
   zx         0.516683D+02      0.765645D+01      0.851895D+01
   zy        -0.329680D+02     -0.488535D+01     -0.543568D+01
   zz         0.241171D+03      0.357378D+02      0.397637D+02

 ----------------------------------------------------------------------
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 TERENCE, THIS IS STUPID STUFF:
 YOU EAT YOUR VICTUALS FAST ENOUGH;
 THERE CAN'T BE MUCH AMISS, 'TIS CLEAR
 TO SEE THE RATE YOU DRINK YOUR BEER.
 BUT OH, GOOD LORD, THE VERSE YOU MAKE,
 IT GIVES A CHAP THE BELLY-ACHE.
 THE COW, THE OLD COW, SHE IS DEAD;
 IT SLEEPS WELL, THE HORNED HEAD:
 WE POOR LADS, 'TIS OUR TURN NOW
 TO HEAR SUCH TUNES AS KILLED THE COW.
 PRETTY FRIENDSHIP 'TIS TO RHYME
 YOUR FRIENDS TO DEATH BEFORE THEIR TIME.
 MOPING, MELANCHOLY MAD:
 COME PIPE A TUNE TO DANCE TO, LAD.

     -- A. E. HOUSMAN
 Job cpu time:       0 days 22 hours  3 minutes 36.3 seconds.
 Elapsed time:       0 days  2 hours 46 minutes  8.8 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 13:53:48 2021.
